Parents (Total: 5)

The searched file hash is included in 5 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	54660
MD5	F289EC7B5FDC7A7575CFE1CAFC5F133D
PackageDescription	test files for AutoGrid The AutoDockSuite addresses the molecular analysis of the docking of a smaller chemical compounds to their receptors of known three-dimensional structure. . This package contain the test files for the AutoGrid program.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid-test
PackageSection	science
PackageVersion	4.2.6-7build1
SHA-1	182CFF3A3100803EB4503F2CB19554F75E6692BB
SHA-256	9CB683AE1E47C1FBDF2351E43694BB5C73DE5762690C6AEB5286A84EFA58D2B8

Key	Value
FileSize	3207536
MD5	471A9A01B0E734FC4C71E42DFC309D6B
PackageDescription	test files for AutoDock AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account. . This package contain the test files for the AutoDock program.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock-test
PackageSection	science
PackageVersion	4.2.6-7build1
SHA-1	A3C2D396D264B0AA06CF23777DA357082FEEE109
SHA-256	F938DF43A07DEA0DE758B4EAF89469E4FD8A279EA2813A9F92320007C6F491E1

Key	Value
FileSize	4832
MD5	41794265602D08D98719BE0AC6E56E05
PackageDescription	instructions for getData to collect compounds This package provides instructions for getData to retrieve descriptions for sets of molecular compounds that can be used directly as input for autodock. The data is not provided direclty by this package. Only the instructions for the download are maintained here. . The FightAids@Home project of the World Community Grid publicly provides the input sets of their runs. The original structures come from the ZINC database and have been processed from the mol2 to pdbqt format by the Scripps institute: * asinex * chembridge_buildingblocks_pdbqt_1000split * drugbank_nutraceutics * drugbank_smallmol * fda_approved * human_metabolome_pdbqt_1000split * otava * zinc_natural_products . Please cite the ZINC database when using that data.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock-getdata
PackageSection	science
PackageVersion	4.2.6-7build1
SHA-1	1A1325553B106A291877E782A045DD7549AB39EF
SHA-256	D6F9A5029C864EC2674F2B57B45A7F35BF64B0376AE50A4B92CEE826E90E87E8

Key	Value
FileSize	146112
MD5	BA371A75BF07618DE7EA2F2DC5453E27
PackageDescription	analysis of ligand binding to protein structure AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account. . The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock
PackageSection	science
PackageVersion	4.2.6-7build1
SHA-1	A475D63D192E4E214A7AA7FEF0F5137CC6B42647
SHA-256	DD6E506F8A866A40976430AEE35A27D2C3551111F75E6F703D046170AE0C64F3

Key	Value
FileSize	33064
MD5	2ADD71D1F0EA2DA384EE013620707535
PackageDescription	pre-calculate binding of ligands to their receptor The AutoDockSuite addresses the molecular analysis of the docking of a smaller chemical compounds to their receptors of known three-dimensional structure. . The AutoGrid program performs pre-calculations for the docking of a ligand to a set of grids that describe the effect that the protein has on point charges. The effect of these forces on the ligand is then analysed by the AutoDock program.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.6-7build1
SHA-1	591F7D523551079AEA961F9A60BF2251E800CA1A
SHA-256	F82885E7A5FCA4C0E87D4CA94AB31183B043D6F4EC6B7A38C4EF9C8EE450F26F