deb_control_files:
- conffiles
- control
- md5sums
deb_fields:
Architecture: all
Description: |-
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.
Homepage: http://autodock.scripps.edu/
Installed-Size: '30'
Maintainer: Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
Package: autodock-getdata
Priority: optional
Recommends: getdata
Section: science
Source: autodocksuite
Suggests: autodock, autogrid
Version: 4.2.6-9
srcpkg_name: autodocksuite
srcpkg_version: 4.2.6-9