autodock-getdata - 4.2.6-6 main

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.

Priority: optional
Section: science
Suites: amber byzantium crimson dawn landing 
Maintainer: Debian Med Packaging Team <debian-med-packaging [꩜] lists.alioth.debian.org>
 
Homepage Source Package
 

Installed Size: 29.7 kB
Architectures: all 

 

Versions

4.2.6-6 all