Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/examples/energy.py |
FileSize | 1142 |
MD5 | A289390CC9E8A1D951F8E9D41CD8D422 |
SHA-1 | 541C9852C7A8FD2B918434B2D55B264F2D9DAB0C |
SHA-256 | 17972330BEF3470919CB54E4A5561DE1A128686C4BD0343E71AD969B63034FF6 |
SSDEEP | 24:gy3+tHx+gYF5dMGjz5gIMMzoRv8m0GS1mIE7ZVYEszuYRLJspa9Dzg6:gyuxx+XF5dTaTuRr1mT7ntsQpa9D86 |
TLSH | T10C21120BB9A62972D3023700E08570944B1EACE82D533C00C25E90D53661F79B8B6F89 |
hashlookup:parent-total | 30 |
hashlookup:trust | 100 |
The searched file hash is included in 30 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 491568 |
MD5 | F70F338C3E4AA5F1B9F3D47E959E25C0 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.4.1+dfsg-3 |
SHA-1 | 09DF7F9B9EA89C6C967E09AA7C59D028EA77B7A0 |
SHA-256 | 73B48EBA479D2059EE2C0E2D6336137FD290BF2746191436DCE12D1EC8E780CF |
Key | Value |
---|---|
FileSize | 655164 |
MD5 | 584B3FE064FEA904B1DB8D00F7AFE93E |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.4.1+dfsg-3 |
SHA-1 | 14D6E0DEFC8D0783A4B8F70A8E72C0143F20E4B4 |
SHA-256 | 47F51E6C498F5194077D498EE82980FDEC3F3382677C43E0FBD45469F5777C4A |
Key | Value |
---|---|
FileSize | 661856 |
MD5 | F85C2D156A691D165BEA3091B3A2D490 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.4.1+dfsg-3 |
SHA-1 | 1789305A61A10794D426977096BE8D19BE7EDA18 |
SHA-256 | 07D8A83DA2BE865E215C5493B91462819D6511DD43E55E2846797A8DFD3C1DE8 |
Key | Value |
---|---|
FileSize | 624810 |
MD5 | 63585F3187B1265379E1A8A1EAC26E3F |
PackageDescription | 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. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.3.2+dfsg-1.1 |
SHA-1 | 1C90D343FA28DE162D7446696E427327BB8D48A1 |
SHA-256 | 1EB86899793661EA99B5D9D8F1E444983CDF88C88CF337825271539B94437E31 |
Key | Value |
---|---|
FileSize | 560260 |
MD5 | DCE2A4CCEE34AE45BBCA3483E71A8254 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.4.1+dfsg-3 |
SHA-1 | 23A426DC2F6503D591B6DADB620F859BC239464B |
SHA-256 | 75E8DB6135B70089862886CAF71D1BDC4B6E9A2A3646D41270F905448BBE36AD |
Key | Value |
---|---|
FileSize | 505068 |
MD5 | EB21A364E427858237481694AAF95080 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.4.1+dfsg-3 |
SHA-1 | 3517B06B295C373CBFF575AD75B14BFDAFBD8158 |
SHA-256 | 5AD28A81DB571B955F5BBF66C6B1A6AC19A806F99D9ECFBEDAEC103CF51937B5 |
Key | Value |
---|---|
FileSize | 803570 |
MD5 | 4E7B378144E2FFA29E563BF041B8E4A5 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 47C24298B515F8400BAAC5E97B2FACD664C543CB |
SHA-256 | 465D1DBA9E668085F677CD760451518996D2F4617DD50BBB20BE6040CCDF915F |
Key | Value |
---|---|
FileSize | 795230 |
MD5 | FB1250A66850D7FC520BDD80F26C87AD |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 55550ABA6AA346E2BDC9E4CF24E1FB4B648ACDE8 |
SHA-256 | B524413D943C9F29C6D6A493FE6D536864E65B3C5BEB2866EAA07CF0407FD8F3 |
Key | Value |
---|---|
FileSize | 808594 |
MD5 | 23529A6BF752AF9682E8CB1FD8BD6EBE |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.3.2+dfsg-3 |
SHA-1 | 56D41DA5BC460225E64AE0E182D9FE28A9AE0D53 |
SHA-256 | 1B983EB602C8D46ADA1D6077F12FFD99BAD96C017E3F7146FCDD0586DB029969 |
Key | Value |
---|---|
FileSize | 796222 |
MD5 | 20F5C92B4CC0FF326B31CD11FE5307C4 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-openbabel |
PackageSection | python |
PackageVersion | 2.3.2+dfsg-3 |
SHA-1 | 6339B81BB8065CACE7F982AC3AB10B585F6D9C1E |
SHA-256 | E77172DA6FD9A973085115E954D2D85901D667C6F0E6F2C330E59FA4A1C85B4C |