[ ソース: autodocksuite ]
パッケージ: autodock-getdata (4.2.6-8)
autodock-getdata に関するリンク
Debian の資源:
autodocksuite ソースパッケージをダウンロード:
メンテナ:
- Debian Med Packaging Team (QA ページ, メールアーカイブ)
- Steffen Moeller (QA ページ)
- Andreas Tille (QA ページ)
- Thorsten Alteholz (QA ページ)
外部の資源:
- ホームページ [autodock.scripps.edu]
類似のパッケージ:
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.