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Paketti: autodock-getdata (4.2.6-7build1)

Links for autodock-getdata

autodock-getdata

Trisquel-palvelut:

Imuroi lähdekoodipaketti autodocksuite:

Ylläpitäjä:

Original Maintainers:

  • Debian Med Packaging Team (Mail Archive)
  • Steffen Moeller
  • Nelson A. de Oliveira
  • Andreas Tille
  • Thorsten Alteholz

External Resources:

Samankaltaisia paketteja:

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.

Muut pakettiin autodock-getdata liittyvät paketit

  • depends
  • recommends
  • suggests
  • rec: getdata
    management of external databases
  • sug: autodock
    analysis of ligand binding to protein structure
  • sug: autodocktools
    Paketti ei saatavilla
  • sug: autogrid
    pre-calculate binding of ligands to their receptor

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