[ Source: autodocksuite ]
Package: autodock-getdata (4.2.3-2)
Links for autodock-getdata
Debian Resources:
Download Source Package autodocksuite:
Maintainers:
- Debian Med Packaging Team (QA Page, Mail Archive)
- Steffen Moeller (QA Page)
- Charles Plessy (QA Page)
- Nelson A. de Oliveira (QA Page)
- Andreas Tille (QA Page)
External Resources:
- Homepage [autodock.scripps.edu]
Similar packages:
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.
Other Packages Related to autodock-getdata
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- rec: getdata
- management of external databases
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- sug: autodock
- analysis of ligand binding to protein structure
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- sug: autodocktools
- GUI to help set up, launch and analyze AutoDock dockings
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- sug: autogrid
- pre-calculate binding of ligands to their receptor
Download autodock-getdata
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| all | 5.1 kB | 52.0 kB | [list of files] |