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Old 05-09-2010, 06:21 PM
Michael Banck
 
Default Bug#580905: ITP: autodock-vina -- analysis of ligand binding to protein structure

Package: wnpp
Severity: wishlist
Owner: Michael Banck <mbanck@debian.org>


* Package name : autodock-vina
Version : 1.1.1
Upstream Author : Oleg Trott <ot14@columbia.edu>
* URL : http://vina.scripps.edu/index.html
* License : Apache 2.0
Programming Lang: C++
Description : analysis of ligand binding to protein structure

AutoDock Vina is a ligand to protein docking and virtual screening
simulator. It is compatible with the AutoDock PDBQT file format and
offers the following advantages over AutoDock:
.
* Computation of grid not necessary
* Higher accuracy of binding mode predictions based on AutoDock 4
training set
* Considerably faster depending on the system
* Multiple cores and CPUs taken into account



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