všetky možnosti
buster  ] [  bullseye  ] [  bookworm  ] [  trixie  ] [  sid  ]
[ Zdroj: autodocksuite  ]

Balík: autodock-getdata (4.2.6-9)

Odkazy pre autodock-getdata

Screenshot

Zdroje Debian:

Stiahnuť zdrojový balík autodocksuite:

Správcovia:

Externé zdroje:

Podobné balíky:

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.

Ostatné balíky súvisiace s balíkom autodock-getdata

  • závisí
  • odporúča
  • navrhuje
  • vylepšuje

Stiahnuť autodock-getdata

Stiahnuť pre všetky dostupné architektúry
Architektúra Veľkosť balíka Nainštalovaná veľkosť Súbory
all 18.9 kB30.0 kB [zoznam súborov]