Parents (Total: 90)

The searched file hash is included in 90 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
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
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

Key	Value
MD5	0A9B9068F4E937A10FB4B48E9F90DD1F
PackageArch	s390x
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	2.fc20
PackageVersion	2.3.2
SHA-1	18DC5C87772E8B0230C1569772BE1016E1EEAE82
SHA-256	B37DD673BB9CFFA5B3CBCA3EF303CBFDBF9FAE985D1342974BEBCB2BB373A9A4

Key	Value
FileSize	259664
MD5	8160DBA39B96B4F5BA1D8D403739F24D
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	1C2ECF5BC62092393501B6230E1CD7DDC648FEFA
SHA-256	77A92829FB9ACEF88CD6F4B05EBF0885B42A9871E7F93418ADB0E225F98E4F0D

Key	Value
FileSize	102050
MD5	8059672948C69E75B74844DB20916ED2
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-3build1
SHA-1	1CCD031303CA0490D0F3D681739981B9F991AD46
SHA-256	6BDC7ECB4C2395F08A370DBCC77D447C91983C56E5A0459EC2D88E63CF20687D