Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/changelog.Debian.gz |
FileSize | 6758 |
MD5 | E25CC0EFD00952BF22494C3A86DBE04A |
SHA-1 | 788F918803A5A6A4B18E8B3CE449A4932B2D0F2F |
SHA-256 | 1A3AE680F16E58A209339FF4508C6B096386EBF92702933489C13DFBFB934B72 |
SSDEEP | 192:Qkkvdzi4zjcpvHG1pbynuCSfW0NjMr84Hjm:jQdzvpbuTSuucfHjm |
TLSH | T1ECD17CE3E00696EBFAA31CE132C140986452231B915BAA6382DFF4CED955DFDA236181 |
hashlookup:parent-total | 29 |
hashlookup:trust | 100 |
The searched file hash is included in 29 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 232504 |
MD5 | C0D987AF173B870E606E30FA9FA8DD74 |
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 | 2.3.2+dfsg-2 |
SHA-1 | 187D0025FB374AC76215A19A569746BB201BEECC |
SHA-256 | C7575915CB364C9D58F0E90DFA12CB740F056BAFFA747DDAAF96F9F9747C9BC0 |
Key | Value |
---|---|
FileSize | 750964 |
MD5 | A49B196EBBB449CE87830E675B3C60E1 |
PackageDescription | Chemical toolbox library (perl 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 Perl binding. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libchemistry-openbabel-perl |
PackageSection | perl |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 1E4128A0C3E0B45278AA46967E20F4CED518C157 |
SHA-256 | 8DE5517121A8B03E9916179CC935FAABC353E6F5ED8603C547FBB93122345EF7 |
Key | Value |
---|---|
FileSize | 25013136 |
MD5 | 95053B11B114E432B1AE589F3D1D8850 |
PackageDescription | Chemical toolbox library (debugging symbols) 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 debugging symbols. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | openbabel-dbg |
PackageSection | debug |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 1E7C63A30215D2B0BF1CC278159C8221C7F7D0FE |
SHA-256 | CEE126F4C28B064ABEBF2729E5CC6DA1EFD83BBBBC5EB851B853597E759A5524 |
Key | Value |
---|---|
FileSize | 24905640 |
MD5 | 52FB538AAD14C63AE5A581344583D4FD |
PackageDescription | Chemical toolbox library (debugging symbols) 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 debugging symbols. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | openbabel-dbg |
PackageSection | debug |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 2250BF247D6B242E12EA341BA767E57E4F07A0AE |
SHA-256 | 7DDA63FC1513B5C92CEED822C8B727561952AA421170CF8BE54FDF09E348937C |
Key | Value |
---|---|
FileSize | 23142298 |
MD5 | B62EA3383DCDCA857378675324B5EFF1 |
PackageDescription | Chemical toolbox library (debugging symbols) 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 debugging symbols. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | openbabel-dbg |
PackageSection | debug |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 2EFCF8A17D74ECC64C8CC88DBBFD2970D94D7721 |
SHA-256 | DF4A81EBB92F1A29720F6CE8308188D19ECE2DB7FA1B4CBC31BEDDDF4279AE1C |
Key | Value |
---|---|
FileSize | 314408 |
MD5 | 3A363FEC4480288764C57111950C4C3C |
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 | 2.3.2+dfsg-2 |
SHA-1 | 3CC129F6F003F2BDCD14D6AB0A929BC4E98950E2 |
SHA-256 | E6E797B97F783550AB0EE61B8A4D9E897C97C76F4F974CED7E4A8432EDA838EC |
Key | Value |
---|---|
FileSize | 789720 |
MD5 | C3C606E0F70D51102BFFDE4B1746B19D |
PackageDescription | Chemical toolbox library (perl 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 Perl binding. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libchemistry-openbabel-perl |
PackageSection | perl |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 4014C3E2DBE224121BA874D58C675E5D9ADE25BE |
SHA-256 | 4024B4DA9E6DACABB4942CB65DA1DAD0497CA757CC4D84D94C8DF18B4EE9D6C9 |
Key | Value |
---|---|
FileSize | 232628 |
MD5 | A88224A60F10CC9E21795E021B5B6C95 |
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 | 2.3.2+dfsg-2 |
SHA-1 | 44360EDC2EE9194EB133F7B9E94D57F472CDCC8D |
SHA-256 | 77DACC273D2DE2C4818FC60B15A50C85977B070E4F75C8F09F8E1B8EC9ADC7DA |
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 | 833352 |
MD5 | 0B41B1E2BF655ADC907B90564A2D36ED |
PackageDescription | Chemical toolbox library (perl 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 Perl binding. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | libchemistry-openbabel-perl |
PackageSection | perl |
PackageVersion | 2.3.2+dfsg-2 |
SHA-1 | 4BCCF863673FD36481C5ED1C9D9352508E64BA5A |
SHA-256 | 180DE300F3755A6094E5E53D639E1C6DD2D3DF507651F06964CBDE6A1D652841 |