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Most of the functionality is implemented; for the differences see README.md Package: openbabel-gui Architecture: sparc64 Version: 3.2.0+dfsg-1~exp Priority: optional Section: science Source: openbabel Maintainer: Debichem Team Installed-Size: 1064 Depends: libc6 (>= 2.34), 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_sparc64.deb Size: 68112 MD5sum: a03c5aba790d6556a084e0cf92e17734 SHA1: 9ae94b4018cf096fdce423daf7922600c152606d SHA256: dc022877d2923ddf33859a9041f2136c886942812572d9ed77432cb0d77922f3 SHA512: bac57916883e543cb7ce0f31de1f188fa2ffa0d9a68d603cdae45054e0dc30f5d6c616a45c94c6c41c85478a39de5d89cee95390f55864066ac1c6263e822da4 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. 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Package: python3-openbabel Architecture: sparc64 Version: 3.2.0+dfsg-1~exp Priority: optional Section: python Source: openbabel Maintainer: Debichem Team Installed-Size: 4045 Depends: python3 (<< 3.14), python3 (>= 3.13~), python3:any, libc6 (>= 2.32), libgcc-s1 (>= 3.4), libopenbabel8 (>= 3.2.0+dfsg), libpython3.13 (>= 3.13.0~rc3), libstdc++6 (>= 13.1) Filename: packages/experimental/main/python3-openbabel_3.2.0+dfsg-1~exp_sparc64.deb Size: 537084 MD5sum: 49e1f283c4d037c94b4bb32c9cc860a4 SHA1: 787dc88bef0a1819c993916386437e0a2434c308 SHA256: e866fd2ac165144096ddcbbaab442637f2fb8d51d8468977ef147c9d1e463f58 SHA512: fa82d8905925ff5f51130a0e4be52c51d0aa2b0282d3dfa053f9490e0fd13aba928e4e0cf722ab9798b1b538a6817225b8912321db27d1660c9049a97994fcf4 Homepage: https://openbabel.org Description: Chemical toolbox library (Python bindings) 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 Python binding. Package: libopenbabel8 Architecture: sparc64 Version: 3.2.0+dfsg-1~exp Priority: optional Section: libs Source: openbabel Maintainer: Debichem Team Installed-Size: 141748 Depends: libc6 (>= 2.38), libcairo2 (>= 1.2.4), libgcc-s1 (>= 3.4), libgomp1 (>= 4.9), libinchi1.07 (>= 1.07.3+dfsg), libmaeparser1 (>= 1.3.3), libstdc++6 (>= 13.1), libxml2-16 (>= 2.14.1), zlib1g (>= 1:1.1.4) Conflicts: libopenbabel4 Replaces: libopenbabel4 Filename: packages/experimental/main/libopenbabel8_3.2.0+dfsg-1~exp_sparc64.deb Size: 3319660 MD5sum: d66eac86151d60b66a5e2773e004d9dc SHA1: 228be16f2387c5d6057df02d62bd87a10df66821 SHA256: 74da7bdf17cbd51213d892f945408a88d7e59a64756a02d011ca4c742c8aa1b0 SHA512: be21daa67d8aeb8a5cfe34a922f2ccd5ff899d754ed5e860b2532a500d41114674a24b1e1a15a08c6678481aef483145495b4e954a3abc1745b84a1d129dead1 Homepage: https://openbabel.org Description: Chemical toolbox library 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 shared library. Package: libopenbabel-dev Architecture: sparc64 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_sparc64.deb Size: 180532 MD5sum: 9eead9bb18427899470758f609c54b55 SHA1: 78572ac7d20166394554962c5ce777335e75c1a1 SHA256: b86aab8beb140590bb8ad6580f7335e9e757c81ad654e5ac490d1da782d6ec3d SHA512: 76f2848edf25712087340b53663c5bcce144a1fdcbc0ba65614617a0ea8404a22eb0ae0e183520b9c876013469eb200d0d8f90d1a3498f5a130b1e88c42fc8ea 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. 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 static library and the header files. Package: openbabel Architecture: sparc64 Version: 3.2.0+dfsg-1~exp Priority: optional Section: science Maintainer: Debichem Team Installed-Size: 19654 Depends: libc6 (>= 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_sparc64.deb Size: 121304 MD5sum: d5795ad41c22e5287a3310a24a8af280 SHA1: 70bf7fca54f10dcc8411617045094c86562f8498 SHA256: 455a01c0a5d95120462f92d2ae0907463581478a7a2aa880b380be830ade7086 SHA512: 885236ddca8f6e4e283c51f3e7aa8c7819270ca3a03ab887cea372756f4b6332dbb2cfed8960bc31522abd9dd110466703ea624b636a17f36176715cbd5017ca 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. 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 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: python3-openbabel-dbgsym Architecture: sparc64 Version: 3.2.0+dfsg-1~exp Auto-Built-Package: debug-symbols Priority: optional Section: debug Source: openbabel Maintainer: Debichem Team Installed-Size: 5450 Depends: python3-openbabel (= 3.2.0+dfsg-1~exp) Breaks: openbabel-dbg (<< 3.0.0+dfsg) Replaces: openbabel-dbg (<< 3.0.0+dfsg) Filename: packages/experimental/main/python3-openbabel-dbgsym_3.2.0+dfsg-1~exp_sparc64.deb Size: 5158392 MD5sum: 65ce158a59a36d84ce768cec7d72dd98 SHA1: 09d71e70147fdfdf76bfadbacdb57732a23ab986 SHA256: 95551cd93aaef3ea636020484bf0e60edf50f25e98a7a7815e514fa588e79690 SHA512: 7bd2c9cf3103e6d0d75244ee52d4fc4b907fb95d69a14c217d3f78d0dbfe029f594548a9331b20a442b0290bee3b2a4653be32e127451ac7e2a8194c9a673a43 Description: debug symbols for python3-openbabel Build-Ids: ca1f9028c7142669e88e8b538c602ac9f9957e0a