Package: autodock-getdata (4.2.6-9)

Links for autodock-getdata

Debian Resources:

Download Source Package autodocksuite:

Maintainers:

Debian Med Packaging Team (QA Page, Mail Archive)
Steffen Moeller (QA Page)
Andreas Tille (QA Page)
Thorsten Alteholz (QA Page)

External Resources:

Homepage [autodock.scripps.edu]

Similar packages:

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.

Other Packages Related to autodock-getdata

depends

recommends

suggests

enhances

rec: getdata

management of external databases

sug: autodock

análise de ligação do ligante (ligand) a estrutura de proteína
sug: autogrid

Pré-calcula as ligações de ligantes aos seus receptores

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