Package: autodock-getdata (4.2.6-5)

Links for autodock-getdata

Trisquel Resources:

Download Source Package autodocksuite:

Maintainer:

Debian Med Packaging Team (Mail Archive)

Original Maintainers:

Debian Med Packaging Team (Mail Archive)
Steffen Moeller
Nelson A. de Oliveira
Andreas Tille
Thorsten Alteholz

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

rec: getdata

management of external databases

sug: autodock

analysis of ligand binding to protein structure
sug: autodocktools

Package not available
sug: autogrid

pre-calculate binding of ligands to their receptor

Download autodock-getdata

Download for all available architectures
Architecture	Package Size	Installed Size	Files
all	4.6 kB	29 kB	[list of files]

Sections