Paket: autodock-getdata (4.2.6-5)

Länkar för autodock-getdata

Trisquelresurser:

Hämta källkodspaketet autodocksuite:

Ansvarig:

Debian Med Packaging Team (E-postarkiv)

Original Maintainers:

Debian Med Packaging Team (E-postarkiv)
Steffen Moeller
Nelson A. de Oliveira
Andreas Tille
Thorsten Alteholz

Externa resurser:

Hemsida [autodock.scripps.edu]

Liknande paket:

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.

Andra paket besläktade med autodock-getdata

beror

rekommenderar

föreslår

rec: getdata

management of external databases

sug: autodock

analysis of ligand binding to protein structure
sug: autodocktools

Paketet inte tillgängligt
sug: autogrid

pre-calculate binding of ligands to their receptor

Hämta autodock-getdata

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