Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/examples/hashizume.cif |
FileSize | 269694 |
MD5 | E497085FE7FBA4FEBFE51931BC75A3B4 |
SHA-1 | 3C3545B14433AD2B9B49DA70E03316A61F18A3DF |
SHA-256 | 296D20FA9CDD25C70D40B2CA0C4AD0A7C17B4972C19217745E7664C216247384 |
SSDEEP | 3072:EmlIQF8Ui95XDmXVP23yvUZkkfK0+0y7EV1aL1ykDdD7GDOphYy52rWJXq/CS/nX:HsDSzC |
TLSH | T1364491E15E1D03E45B0DE863973A84605E276F1318D0CEB5FE4EC5998FADF688AD2902 |
hashlookup:parent-total | 43 |
hashlookup:trust | 100 |
The searched file hash is included in 43 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 576216 |
MD5 | 30346AEF0AEE580C0513919BDCCF259B |
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 | python3-openbabel |
PackageSection | python |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 07AC6E796C21FCAD8F91BBFBC38F2DCD2391C65B |
SHA-256 | 21EB3FF85C33B9675CA46D58F6E0FEC7EDED129C9946E417308D0AC9479B2239 |
Key | Value |
---|---|
FileSize | 513644 |
MD5 | D9CAF7798DD55EE2BCFF183169D0C2FD |
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 | python3-openbabel |
PackageSection | python |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 081F28A2D4F42BF10537C1DA41265936A0550ECA |
SHA-256 | 233BAA719991832B2291035E2343D3884B11CCBF7D177164FA33FFAE8D61ECB0 |
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 | 496988 |
MD5 | 248C68A48780715D4BC52102A141A104 |
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 | python3-openbabel |
PackageSection | python |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 1766BB932DFB5126E60FD7D61191E8A2C2E0C52F |
SHA-256 | 8A1AF54A8D10EC0C33F99FA67595B461E0BC94BF1A8BBDD773A1E41A47C92C64 |
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 | 448012 |
MD5 | 2AEE1360C95ADF3F0CE41DA065078544 |
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 | python3-openbabel |
PackageSection | python |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 2693352196F371F3FEBAA45784F0516314D2EB25 |
SHA-256 | DCC154121CA0481EF6448026A4EB9BC5900D0637A03F5DB55130B6FD54EC1422 |
Key | Value |
---|---|
FileSize | 545720 |
MD5 | F991CE45AC51FD2BF80AB1D920E2FA9A |
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 | python3-openbabel |
PackageSection | python |
PackageVersion | 3.1.1+dfsg-6ubuntu1 |
SHA-1 | 2B7A6016F55D6FD69A17BC58B1EDD4C7A3979FC9 |
SHA-256 | A581D5DA53AA9ACD8BC6E3B817174D29438871402C5262077CB28FC5B0673AC2 |