Parents (Total: 124)

The searched file hash is included in 124 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
MD5	B8E7C707018523939F3558E53AB54DD2
PackageArch	i586
PackageDescription	Open Babel is a chemical toolbox understanding many formats of chemical data. It allows to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
PackageMaintainer	https://bugs.opensuse.org
PackageName	openbabel
PackageRelease	5.14
PackageVersion	2.4.1
SHA-1	00011B99B2F1885C40B8F43087D06F05B56577E9
SHA-256	CD2BBBE39F4EC6985A37FD44363CC65BD6B28B87332B74C33BDB31DF3C4F3BBE

Key	Value
MD5	095D6CB5C23174FC02C733984D40B678
PackageArch	x86_64
PackageDescription	Open Babel is a chemical toolbox understanding many formats of chemical data. It allows to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
PackageMaintainer	https://bugs.opensuse.org
PackageName	openbabel
PackageRelease	lp150.2.1
PackageVersion	2.4.1
SHA-1	056C4914886F11E5C924A1534D7D30DE2F6482DE
SHA-256	667D91D32CB6EF33CB0C8B660EB132EE2955DA0E0BE8A04AB92E4C04FAA2E496

Key	Value
MD5	B1CDCECA6AD243D4C580951AA12B07C0
PackageArch	x86_64
PackageDescription	Open Babel is a chemical toolbox understanding many formats of chemical data. It allows to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
PackageName	openbabel
PackageRelease	21.1
PackageVersion	2.4.1
SHA-1	07E68C56B4BA11C5B6CA71DEB1083DC1877C0260
SHA-256	10E3C75282BCA1F3D7ADBBCEC2D191D4775435434D9060D525F06611EB1578DC

Key	Value
MD5	D42D09C5CD655D65F840EA33F04555E8
PackageArch	armv7hl
PackageDescription	Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the command-line utility, which is intended to be used as a replacement for the original babel program, to translate between various chemical file formats as well as a wide variety of utilities to foster development of other open source scientific software.
PackageMaintainer	Fedora Project
PackageName	openbabel
PackageRelease	6.fc18
PackageVersion	2.3.1
SHA-1	07F891243D9339787A1A3C8917321E7256D358D9
SHA-256	F1FC569CE7AECE93CCA7535BAE45EBFA08851BEE686BDF297F9B483DD1234B2C

Key	Value
MD5	F01102B46DD6B846D02A2D89963AAA4B
PackageArch	s390
PackageDescription	Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the command-line utility, which is intended to be used as a replacement for the original babel program, to translate between various chemical file formats as well as a wide variety of utilities to foster development of other open source scientific software.
PackageMaintainer	Fedora Project
PackageName	openbabel
PackageRelease	3.fc15
PackageVersion	2.3.0
SHA-1	0B1A7E29632A4A3BEB2535A6AF468D35D13C2CAD
SHA-256	273216B483A0EE6C92D5FD7A7EACB688A0BBEC5C8FF9F6C3135A04EDAEA78BAC

Key	Value
FileSize	92896
MD5	7D9447AFB4DA62A6E8FFA54D2C5A0A33
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: * babel: 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	2.3.2+dfsg-1.1
SHA-1	0BEA794C3D13A8D5BA0808C87FC7D02338155721
SHA-256	7262990E5AD1F45FF72169B386E81BBBAD44D2936E129548F48ED6D9B60161C7

Key	Value
MD5	4B72198745D1A58BEC6B065158C28781
PackageArch	x86_64
PackageDescription	Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the command-line utility, which is intended to be used as a replacement for the original babel program, to translate between various chemical file formats as well as a wide variety of utilities to foster development of other open source scientific software.
PackageMaintainer	Fedora Project
PackageName	openbabel
PackageRelease	28.fc32
PackageVersion	2.4.1
SHA-1	0C356A72227DD8B99E03F8EC25E47A5DE4001147
SHA-256	E05192EE32CB40CA166CAE0C9FA9848AE36D1DF44F92A9AB26E13847DE6BC9BC

Key	Value
FileSize	259534
MD5	EEA1EC1338240369888391811267A4E7
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: * babel: 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	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	openbabel
PackageSection	science
PackageVersion	2.3.2+dfsg-3
SHA-1	13609C45B00BAA68DC6F3EA542C850A72841BFE6
SHA-256	29BD75EF896FDF109C96C45D96D406939BB2D2F28FC5D3CC835BD0F2A0A7C139

Key	Value
MD5	6F36CEE9FFD5E9AB42DB9848BE645925
PackageArch	ppc
PackageDescription	Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the command-line utility, which is intended to be used as a replacement for the original babel program, to translate between various chemical file formats as well as a wide variety of utilities to foster development of other open source scientific software.
PackageMaintainer	Koji
PackageName	openbabel
PackageRelease	6.fc18
PackageVersion	2.3.1
SHA-1	1596F762353ED738E8FF79CE9C46BFF02DD36C80
SHA-256	B034EC2C4AE095623FC20A481607100F84847A67A0F19807AAF5982452C54792

Key	Value
FileSize	122788
MD5	7A519FD0B947C6BE99330DF6C23F4934
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: * babel: 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	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	openbabel
PackageSection	science
PackageVersion	2.4.1+dfsg-3
SHA-1	15E0AD382E513CAC60A04E18019BF9EED250B306
SHA-256	BDD26EBFE8AFCB846530ECAB8A8E480C8B4E065EC4227D641953FC93851D2986