Pkg
<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.
Download
http://ftp.debian.org/debian/pool/main/a/autodocksuite/autodocksuite_4.2.6.orig.tar.gz
Categories
Licensing
License
Verified by
Verified on
Notes
License
Verified by
Debian: Andreas Tille <tille@debian.org>
Verified on
27 August 2014
Notes
License: gpl-2+
Leaders and contributors
Resources and communication
| Audience | Resource type | URI |
|---|---|---|
| Python (Ref) | https://pypi.org/project/pkg | |
| Debian (Ref) (R) | https://tracker.debian.org/pkg/autodocksuite | |
| Download | http://autodock.scripps.edu/downloads | |
| Ruby (Ref) | https://rubygems.org/gems/pkg | |
| Perl (Ref) | https://metacpan.org/release/pkg |
Software prerequisites
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