Package: openbabel-gui Architecture: hurd-amd64 Version: 3.2.0+dfsg-1~exp Priority: optional Section: science Source: openbabel Maintainer: Debichem Team Installed-Size: 328 Depends: libc0.3 (>= 2.38), libgcc-s1 (>= 3.0), libopenbabel8 (>= 3.2.0+dfsg), libstdc++6 (>= 13.1), libwxbase3.2-1t64 (>= 3.2.9+dfsg), libwxgtk3.2-1t64 (>= 3.2.9+dfsg) Filename: packages/experimental/main/openbabel-gui_3.2.0+dfsg-1~exp_hurd-amd64.deb Size: 83472 MD5sum: 38f3db49e750c5e4b174bd141833821c SHA1: f758e5911aefebfb0056a7d8e357da276a9988ba SHA256: 5ba1e4f4574ec748b4000d5a2c4cf5cc5eb72002a6fa0296be4735281fd0c0e5 SHA512: eec841c154b9bc5520feca87910d70598291116a9278e77e23f6405c90ebf96d2be9d3f8835389c2cc836eeeee125bc9be46bd23148bfcb25681e121a39fd6ab Homepage: https://openbabel.org Description: Chemical toolbox utilities (graphical user interface) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package contains the openbabel GUI based on wxWidgets. Package: openbabel Architecture: hurd-amd64 Version: 3.2.0+dfsg-1~exp Priority: optional Section: science Maintainer: Debichem Team Installed-Size: 528 Depends: libc0.3 (>= 2.38), libgcc-s1 (>= 3.0), libopenbabel8 (>= 3.2.0+dfsg), libstdc++6 (>= 13.1) Filename: packages/experimental/main/openbabel_3.2.0+dfsg-1~exp_hurd-amd64.deb Size: 127720 MD5sum: 628ac7d33ec63ec0ac7cf67b0240ab43 SHA1: bdf9807a86bb0f9cc44cbd94cc376c72e3ae8f38 SHA256: eb10c0eeeed37877f50b97d26f0d6be91ec4bd1a520e84c695cbd1a3a5e82459 SHA512: 05890d524cdc162ee085daa357d8eacb0b48370d2a19cabe38078dd92ae7076679db09b0775c40347504adaa38d94d444f47c6ea69f63b207014e308aafaa8f6 Homepage: https://openbabel.org Description: Chemical toolbox utilities (cli) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. 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This package includes the following utilities: * obabel: Convert between various chemical file formats * obenergy: Calculate the energy for a molecule * obminimize: Optimize the geometry, minimize the energy for a molecule * obgrep: Molecular search program using SMARTS pattern * obgen: Generate 3D coordinates for a molecule * obprop: Print standard molecular properties * obfit: Superimpose two molecules based on a pattern * obrotamer: Generate conformer/rotamer coordinates * obconformer: Generate low-energy conformers * obchiral: Print molecular chirality information * obrotate: Rotate dihedral angle of molecules in batch mode * obprobe: Create electrostatic probe grid Package: qtcreator Architecture: hurd-amd64 Version: 20.0.0~rc1+ds-1 Priority: optional Section: devel Maintainer: Debian Qt/KDE Maintainers Installed-Size: 133549 Depends: clangd (>= 1:17~), libqt6sql6-sqlite, qml6-module-qtqml-models, qml6-module-qtqml-workerscript, qml6-module-qtquick-controls, qml6-module-qtquick-layouts, qml6-module-qtquick, qtcreator-data (= 20.0.0~rc1+ds-1), libarchive13t64 (>= 3.2.1), libc0.3 (>= 2.42), libclang-cpp21 (>= 1:21.1.8), libdw1t64 (>= 0.158), libelf1t64 (>= 0.142), libgcc-s1 (>= 12), libglib2.0-0t64 (>= 2.12.0), libllvm21 (>= 1:21.1.0), libqt6charts6 (>= 6.8.3~), libqt6concurrent6 (>= 6.8.3~), libqt6core6t64 (>= 6.10.2), libqt6dbus6 (>= 6.8.3~), libqt6designer6 (>= 6.9.1), libqt6designercomponents6 (>= 6.10.2~), libqt6gui6 (>= 6.9.1), libqt6help6 (>= 6.8.3~), libqt6network6 (>= 6.8.3~), libqt6printsupport6 (>= 6.8.3~), libqt6qml6 (>= 6.10.2), libqt6quick3d6 (>= 6.8.3~), libqt6quick3dassetimport6 (>= 6.8.3~), libqt6quick3dassetutils6 (>= 6.8.3~), libqt6quick3druntimerender6 (>= 6.8.3~), libqt6quick3dutils6 (>= 6.8.3~), libqt6quick6 (>= 6.8.3~), libqt6quickwidgets6 (>= 6.8.3~), libqt6serialport6 (>= 6.8.3~), libqt6sql6 (>= 6.8.3~), libqt6svg6 (>= 6.8.3~), libqt6svgwidgets6 (>= 6.8.3~), libqt6test6 (>= 6.8.3~), libqt6widgets6 (>= 6.9.1), libqt6xml6 (>= 6.8.3~), libstdc++6 (>= 14), libyaml-cpp0.8 (>= 0.7.0), libzstd1 (>= 1.5.5), qml6-module-qtquick3d-particles3d (>= 6.10.2), qt6-base-private-abi (= 6.10.2), qt6-declarative-private-abi (= 6.10.2), qt6-quick3d-private-abi (= 6.10.2), qt6-svg-private-abi (= 6.10.2) Recommends: clang-tidy, gdb, make, qml-qt6, qt6-qmltooling-plugins, qt6-base-dev, qtcreator-doc, qt6-declarative-dev-tools, qt6-tools-dev-tools, qt6-translations-l10n, xterm | x-terminal-emulator Suggests: clazy (>= 1.5), cmake, g++, git, meson, subversion, valgrind, python3-pylsp Filename: packages/experimental/main/qtcreator_20.0.0~rc1+ds-1_hurd-amd64.deb Size: 34923372 MD5sum: ba88073ec27245a669d42b3a18bb1748 SHA1: 202087b1119822c26c1389e3fee88d3789d91c84 SHA256: 0223139936cb88f2ab0d97bb877e8198f83df72844e1e07d7e2615e1c964618a SHA512: 564f7c1cd7b9d527f0fc6b5532fbe66f2253296c196865c4951f531861e5297a87e6e091f7e8c90ec60f47c36e4d5ebfe652a596cda17f59329f4ba2eb343e03 Homepage: https://doc.qt.io/qt-5/topics-app-development.html Description: integrated development environment (IDE) for Qt Qt Creator is a cross-platform integrated development environment (IDE) designed to make development with the Qt application framework faster and easier. . 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It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package contains the Python binding. 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Package: libopenbabel-dev Architecture: hurd-amd64 Version: 3.2.0+dfsg-1~exp Priority: optional Section: libdevel Source: openbabel Maintainer: Debichem Team Installed-Size: 961 Depends: libopenbabel8 (= 3.2.0+dfsg-1~exp) Suggests: libopenbabel-doc Filename: packages/experimental/main/libopenbabel-dev_3.2.0+dfsg-1~exp_hurd-amd64.deb Size: 180524 MD5sum: e1e85d9f05e973038e0f6710b5718347 SHA1: e4e6b81a9db6db5659a5b340b82fca6ca8647fa3 SHA256: bf7b69e4bf5308656e9b7640ccfe1a23c2b0d79cdd003445d6890dff89ac4e4f SHA512: c34d5851c2775644199b104e09802835dbfe2857231e578fd26ea57a4a1ad1161d86e793a32052c945b1721137ad843ad6bca27c27b064c6a38bd8717d01c780 Homepage: https://openbabel.org Description: Chemical toolbox library (development files) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. 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