alla flaggor
buster  ] [  bullseye  ] [  bookworm  ] [  trixie  ] [  sid  ]
[ Källkod: autodocksuite  ]

Paket: autodock-getdata (4.2.6-6)

Länkar för autodock-getdata

Screenshot

Debianresurser:

Hämta källkodspaketet autodocksuite:

Ansvariga:

Externa resurser:

Liknande paket:

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.

Andra paket besläktade med autodock-getdata

  • beror
  • rekommenderar
  • föreslår
  • enhances

Hämta autodock-getdata

Hämtningar för alla tillgängliga arkitekturer
Arkitektur Paketstorlek Installerad storlek Filer
all 18,4 kbyte29,0 kbyte [filförteckning]