[ 源代码: autodocksuite ]
软件包: autodock-getdata (4.2.6-9)
autodock-getdata 的相关链接
Trisquel 的资源:
下载源码包 autodocksuite:
维护者:
Original Maintainers:
- Debian Med Packaging Team (Mail Archive)
- Steffen Moeller
- Andreas Tille
- Thorsten Alteholz
外部的资源:
- 主页 [autodock.scripps.edu]
相似软件包:
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.