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[ Kaynak: autodocksuite  ]

Paket: autodock-getdata (4.2.6-7build1)

autodock-getdata için bağlantılar

autodock-getdata

Trisquel Kaynakları:

autodocksuite Kaynak Paketini İndir:

Geliştirici:

Original Maintainers:

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

Dış Kaynaklar:

Benzer paketler:

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.

autodock-getdata ile İlgili Diğer Paketler

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    Paket mevcut değil
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    pre-calculate binding of ligands to their receptor

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