Bug#580905: ITP: autodock-vina -- analysis of ligand binding to protein structure

[Michael Banck <mbanck@debian.org>]

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