| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python-openbabel/examples/testpybel.py |
| FileSize | 17067 |
| MD5 | 8CAE9007BF0A35C3EBBCB1F6C3027FA7 |
| SHA-1 | 0B9A82450E5B6CE66CBA1B9F4A0D84716263EABD |
| SHA-256 | 5EC138757D8AE6164BC83F840B38A03DD743EF0D595F2B075F388E6212893C73 |
| SSDEEP | 384:ZGymVBZcnliMq6z+v/q0grY1sgWQY3Xrcl/UkLg4pady1MgdM:ZGy4BZcnliMq6o/DgrYegWQaXAlDLZpY |
| TLSH | T117722D26E2135D66B2579ABA844E750F1B1EAD1F040D143838BD03CEEF29439D6E6DF8 |
| hashlookup:parent-total | 20 |
| hashlookup:trust | 100 |
The searched file hash is included in 20 parent files which include package known and seen by metalookup. A sample is included below:
| 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 | 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 |
| Key | Value |
|---|---|
| FileSize | 634492 |
| MD5 | 4AC59C3EF39997A580A1DE0BBBF942DB |
| 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-2.2build1 |
| SHA-1 | 6EEB19B0C6142A11EE2F4B8C43A7C30D384A9467 |
| SHA-256 | 73E256B7D4FB01E6B660389828629E14B426575D1CD121A3593CB6886EC05D1D |
| Key | Value |
|---|---|
| FileSize | 653326 |
| MD5 | DB917EC80CE34C7E3CB84ED51FF9DD0E |
| 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-2.2build1 |
| SHA-1 | 752A890CE4D01038861247DA179A0C21D450BF58 |
| SHA-256 | 134FE5A7688B7D7DFA22FBCCD765D44EFC4D955A0BC09199C15F1F95FBE7C5A3 |
| Key | Value |
|---|---|
| FileSize | 717588 |
| MD5 | 3D33EB32B29C9499175FF88D87B31DB5 |
| 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 | 754AB25A27F4BC82C259F1F6B21E070EC4D726FA |
| SHA-256 | A96BE73B413922A77762CEACDDB75BF6F93CCB7A3948FDCEC782446C90C37EFF |
| Key | Value |
|---|---|
| FileSize | 649372 |
| MD5 | 31FEC4FF877DB09B17EE4090CA351650 |
| 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-3build1 |
| SHA-1 | 854A7D98DB50189FC8D7D18ECAB294ADA1547492 |
| SHA-256 | E83CC835E42E238EE4517CAF3B82230473C5AA329DBB2EA8636521B7D93EF3F2 |
| Key | Value |
|---|---|
| FileSize | 597038 |
| MD5 | 1329F3070E96F54749AB644ED510D884 |
| 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 | 89AC573F0ACDA9D89D477BD3C6C7A784CCDCB3BE |
| SHA-256 | 1AEAC749FAF748E720A8EB4EF93FA62A87FE33A365632C80568BB1AA68F94612 |