Parents (Total: 7)

The searched file hash is included in 7 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	555664
MD5	8A8FBEECE6B39EA029AED30533022F61
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	3.0.0+dfsg-3ubuntu3
SHA-1	5401494C8A0FC189B46953C66F68B5AA7A869372
SHA-256	BED097882A1685D5786E47789A06F4B09E21EC5D36989AFB76DEB317D9F74FF2

Key	Value
FileSize	173168
MD5	097B6A31A3AF6A857A888326A07ED6CD
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libopenbabel-dev
PackageSection	libdevel
PackageVersion	3.0.0+dfsg-3ubuntu3
SHA-1	65370D87AF28BDFE1A0EE8A239C342EB9DF53B3E
SHA-256	B212433386A1CBF7F5E0135E2762D7BF950D0EF342C135AF1B7D8D7B910BE84A

Key	Value
FileSize	127168
MD5	07CD161CD16CCFF3E125C84B02AC864A
PackageDescription	Chemical toolbox utilities (cli) 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 includes the following utilities: * obabel: Convert between various chemical file formats * obenergy: Calculate the energy for a molecule * obminimize: Optimize the geometry, minimize the energy for a molecule * obgrep: Molecular search program using SMARTS pattern * obgen: Generate 3D coordinates for a molecule * obprop: Print standard molecular properties * obfit: Superimpose two molecules based on a pattern * obrotamer: Generate conformer/rotamer coordinates * obconformer: Generate low-energy conformers * obchiral: Print molecular chirality information * obrotate: Rotate dihedral angle of molecules in batch mode * obprobe: Create electrostatic probe grid
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	openbabel
PackageSection	science
PackageVersion	3.0.0+dfsg-3ubuntu3
SHA-1	5276F9353B897B0406266BDA58657C1B1DA9E61D
SHA-256	BA668550980642B5FEB46F7DC1D8537C0CE973275D3115E4A6AFF26E8E75A681

Key	Value
FileSize	3568068
MD5	04ACB110A324DD1BF233CBD2DE348DFE
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libopenbabel6
PackageSection	libs
PackageVersion	3.0.0+dfsg-3ubuntu3
SHA-1	54DF64528209A0A678A4DF4CDA8F230A13BC3040
SHA-256	5FE149334728A17E6BB188F3B3CA6E6ECD3229711B0C3292290D8E0CC991F4D6

Key	Value
FileSize	672456
MD5	9CC663499ABDE16901629076B9A9FEE9
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 Chemistry::Openbabel, the Perl binding for Open Babel.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libchemistry-openbabel-perl
PackageSection	perl
PackageVersion	3.0.0+dfsg-3ubuntu3
SHA-1	4CDC18584FDCB0E241D07BBD55052ED35CC8B5B9
SHA-256	03081BBB82F4A09D8E29554133A516340ACCF8B6537CC43EB85BF59A170167CA

Key	Value
FileSize	93748
MD5	AE1058E390B7BA814BE4D5CB784EBE0B
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	openbabel-gui
PackageSection	science
PackageVersion	3.0.0+dfsg-3ubuntu3
SHA-1	B74B5161E048A850CB4DF8B544FB3D8051B2AC8E
SHA-256	29F4683BFE6009A61DE4A20DDCFACB88533ECB9295E0BFC7D15A5E6989FCCD05

Key	Value
FileSize	7368060
MD5	823A0E0FBDC1C3F8D9B3D7FDA971F79E
PackageDescription	Chemical toolbox library (documentation) 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 library documentation.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libopenbabel-doc
PackageSection	doc
PackageVersion	3.0.0+dfsg-3ubuntu3
SHA-1	1735352794D30257C51E013E7D5454B79BF37ED0
SHA-256	FCE6EC4DE84E0E6390C616186D56B65AB75613D14C3D3C12C872337F8B133376