CCL: Release of AutoDock Vina 1.0
- From: arthur olson <olson\a/scripps.edu>
- Subject: CCL: Release of AutoDock Vina 1.0
- Date: Tue, 09 Jun 2009 18:36:18 -0700
Sent to CCL by: arthur olson [olson|-|scripps.edu]
Dear AutoDock users and others interested in receptor-ligand docking
and
virtual screening,
Today we have concluded our beta test of AutoDock Vina and are
announcing the first full release of AutoDock Vina 1.0
AutoDock Vina, a new docking code developed by Oleg Trott in my lab.
AutoDock Vina uses the same format for the ligand and receptor files as
AutoDock4, which can be prepared by AutoDock Tools, however its input
is
much simpler, and there is no need to run AutoGrid before runing the
docking. The scoring and optimization procedures in AutoDock Vina are
quite different than those in AutoDock4.
A paper announcing and describing AutoDock Vina is now published
online
by the Journal of Computational Chemistry.
http://www3.interscience.wiley.com/journal/122439542/abstract
In the paper we compare its performance relative to AutoDock4. We have
found AutoDock Vina is considerably faster than AutoDock4, with
comparable or better docked structures for many complexes.
AutoDock Vina 1.0 is distributed as binary executables for Linux and
Windows and Mac platforms. It can be downloaded from
http://vina.scripps.edu or via links from http://autodock.scripps.edu
Changes from the previous beta version can be found at
http://vina.scripps.edu/changes
Thanks,
Art Olson
--
***************************************
Arthur J. Olson, Ph.D.
Professor
Department of Molecular Biology
The Scripps Research Institute
La Jolla, CA 92037
tel. (858) 784-9702
fax. (858) 784-2860
http://www.scripps.edu/pub/olson-web