Key | Value |
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FileName | ./usr/share/doc/python3-openbabel/copyright |
FileSize | 17605 |
MD5 | E40C7BBBEA95FC04DCC5DC820A090978 |
SHA-1 | 5BDAB0FB41D3854128475F76D935FEB081A9E0EB |
SHA-256 | 8BDFF9720D6BA37E04680A6B1CF167CBBB03E4EA5B349213C7798238ECCAD281 |
SSDEEP | 384:qMfbBd+hIGop3dbP9xb9Hb3HlMNoMN4tSQuMSthkZrs0rsxt5bRrSHtVZHU:q+bBd+hIGopxZHb3HlMNoMN4tSQuMStl |
TLSH | T1A682C60A2E4087BB3FD023D5394994DEE316739B322A5881704DD28A5F1B67A27F35E8 |
hashlookup:parent-total | 76 |
hashlookup:trust | 100 |
The searched file hash is included in 76 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 187056 |
MD5 | 3AF5791549138F97F6210E15A35D632E |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel-dev |
PackageSection | libdevel |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 00F4AF7A9DFFA9E9F1E7DEA259201DCDD2EB0E83 |
SHA-256 | 4C18159D922136EB268F4225D7A4A134D726EB1BE34C42202AB47BAACE2E402D |
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 | 187048 |
MD5 | 5DD7DFACCF6ECB4DBAA217C1A160F1A8 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel-dev |
PackageSection | libdevel |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 08FE8B162B108E2613EBEFE6ADBB224E689E69CF |
SHA-256 | C9248631F644A273A9200F7FB391F0DD7EE2349C5FB65212AE291E4B2C4EF3CC |
Key | Value |
---|---|
FileSize | 187040 |
MD5 | 638E76565F03B89C53BB58C4D95967B5 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel-dev |
PackageSection | libdevel |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 0BBB32737F7D97AAB6DA58F078513BBDA0C62A13 |
SHA-256 | EDFFE8D3127926B5D42F1987D6F33697CF1DD6B70F58CC8F7A20BA77961D8FCA |
Key | Value |
---|---|
FileSize | 2907892 |
MD5 | 97ACBF73AC46ECE480BF85714C650CA0 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel7 |
PackageSection | libs |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 107914ADA2DB5CE49DAEBDB3D9C30AE11FA396B4 |
SHA-256 | 7B2E32DBB658F99C3CD2F45C315768085E0BE3A1372CA56CDF4F77DCBCAF7B88 |
Key | Value |
---|---|
FileSize | 88076 |
MD5 | AC2242717AA5D06B5586BD3DCD08E6F6 |
PackageDescription | Chemical toolbox utilities (graphical user interface) 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 openbabel GUI based on wxWidgets. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | openbabel-gui |
PackageSection | science |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 11E368C162AA0EE5B3D1DB70280EA0059263750D |
SHA-256 | 5ABCF1DB9EE59E0F8EE03E5E6DD05BDAFF7067EDAADDF4CC391751A50DBE3583 |
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 | 2955544 |
MD5 | 33ABAEC4980D539A096FEF34BDEE88F5 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel7 |
PackageSection | libs |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 1BFDEBA87724B72FCEFC4E0E5537247D189993F9 |
SHA-256 | FDF8323FD9C312F6C56B1E218E65006D855E76C92EDBB19401E8293E96897869 |
Key | Value |
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FileSize | 187096 |
MD5 | D6DDFDB7C757FE39F83EE15D6A247558 |
PackageDescription | 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. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libopenbabel-dev |
PackageSection | libdevel |
PackageVersion | 3.1.1+dfsg-6 |
SHA-1 | 20035AC25FE491B53F134A6102BA3BDDE25BC53B |
SHA-256 | D36F8CE3937DDA3F7C4FC4A6E075E4ED93CA43010FBE5178C8BE639CF8110078 |