Result for 66EDA55F2B6FD77B17B127B32145186F91851094

Query result

Key Value
FileName./usr/share/doc/python-openbabel/examples/dalke_test.py
FileSize46858
MD5A66123ADB040E017C523C3C5494DB45F
SHA-166EDA55F2B6FD77B17B127B32145186F91851094
SHA-2567FD198FA8369CAA1B85D6FB7B6A0B3FE96EF7E80002CDCAF4E9816D17CAD3FBD
SSDEEP768:Nt3HZ4gZkD2mk439JQ94g0AKb7tKHVVC5JYv0F67mmaV1l1:v3HZ4gZ22mk439JQ94g0AKb7tKHVw5G0
TLSHT13523EEB195860DA1A727AEFA584F644B1F1F5D97480C2028F07E425D3FA2874C6DBCFA
hashlookup:parent-total30
hashlookup:trust100

Network graph view

Parents (Total: 30)

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
FileSize491568
MD5F70F338C3E4AA5F1B9F3D47E959E25C0
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.4.1+dfsg-3
SHA-109DF7F9B9EA89C6C967E09AA7C59D028EA77B7A0
SHA-25673B48EBA479D2059EE2C0E2D6336137FD290BF2746191436DCE12D1EC8E780CF
Key Value
FileSize655164
MD5584B3FE064FEA904B1DB8D00F7AFE93E
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.4.1+dfsg-3
SHA-114D6E0DEFC8D0783A4B8F70A8E72C0143F20E4B4
SHA-25647F51E6C498F5194077D498EE82980FDEC3F3382677C43E0FBD45469F5777C4A
Key Value
FileSize661856
MD5F85C2D156A691D165BEA3091B3A2D490
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.4.1+dfsg-3
SHA-11789305A61A10794D426977096BE8D19BE7EDA18
SHA-25607D8A83DA2BE865E215C5493B91462819D6511DD43E55E2846797A8DFD3C1DE8
Key Value
FileSize624810
MD563585F3187B1265379E1A8A1EAC26E3F
PackageDescriptionChemical 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.
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.3.2+dfsg-1.1
SHA-11C90D343FA28DE162D7446696E427327BB8D48A1
SHA-2561EB86899793661EA99B5D9D8F1E444983CDF88C88CF337825271539B94437E31
Key Value
FileSize560260
MD5DCE2A4CCEE34AE45BBCA3483E71A8254
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.4.1+dfsg-3
SHA-123A426DC2F6503D591B6DADB620F859BC239464B
SHA-25675E8DB6135B70089862886CAF71D1BDC4B6E9A2A3646D41270F905448BBE36AD
Key Value
FileSize505068
MD5EB21A364E427858237481694AAF95080
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.4.1+dfsg-3
SHA-13517B06B295C373CBFF575AD75B14BFDAFBD8158
SHA-2565AD28A81DB571B955F5BBF66C6B1A6AC19A806F99D9ECFBEDAEC103CF51937B5
Key Value
FileSize803570
MD54E7B378144E2FFA29E563BF041B8E4A5
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.3.2+dfsg-2
SHA-147C24298B515F8400BAAC5E97B2FACD664C543CB
SHA-256465D1DBA9E668085F677CD760451518996D2F4617DD50BBB20BE6040CCDF915F
Key Value
FileSize795230
MD5FB1250A66850D7FC520BDD80F26C87AD
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.3.2+dfsg-2
SHA-155550ABA6AA346E2BDC9E4CF24E1FB4B648ACDE8
SHA-256B524413D943C9F29C6D6A493FE6D536864E65B3C5BEB2866EAA07CF0407FD8F3
Key Value
FileSize808594
MD523529A6BF752AF9682E8CB1FD8BD6EBE
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.3.2+dfsg-3
SHA-156D41DA5BC460225E64AE0E182D9FE28A9AE0D53
SHA-2561B983EB602C8D46ADA1D6077F12FFD99BAD96C017E3F7146FCDD0586DB029969
Key Value
FileSize796222
MD520F5C92B4CC0FF326B31CD11FE5307C4
PackageDescriptionChemical 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-openbabel
PackageSectionpython
PackageVersion2.3.2+dfsg-3
SHA-16339B81BB8065CACE7F982AC3AB10B585F6D9C1E
SHA-256E77172DA6FD9A973085115E954D2D85901D667C6F0E6F2C330E59FA4A1C85B4C