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<pkg>

http://autodock.scripps.edu/
analysis of ligand binding to protein structure

AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account.

The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.





Licensing

License

Verified by

Verified on

Notes

Verified by

Debian: Andreas Tille <tille@debian.org>

Verified on

27 August 2014

Notes

License: gpl-2+




Leaders and contributors

Resources and communication

AudienceResource typeURI
Python (Ref)https://pypi.org/project/pkg
Debian (Ref) (R)https://tracker.debian.org/pkg/autodocksuite
Downloadhttp://autodock.scripps.edu/downloads
Ruby (Ref)https://rubygems.org/gems/pkg
Perl (Ref)https://metacpan.org/release/pkg


Software prerequisites




Entry







"Perl (Ref)" is not in the list (General, Help, Bug Tracking, Support, Developer) of allowed values for the "Resource audience" property.


"Python (Ref)" is not in the list (General, Help, Bug Tracking, Support, Developer) of allowed values for the "Resource audience" property.


"Ruby (Ref)" is not in the list (General, Help, Bug Tracking, Support, Developer) of allowed values for the "Resource audience" property.


"Debian (Ref) (R)" is not in the list (General, Help, Bug Tracking, Support, Developer) of allowed values for the "Resource audience" property.








Date 2015-07-17
Source Debian
Source link http://packages.debian.org/sid/autodocksuite

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