CCL: Release of AutoDock Vina 1.0



 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
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 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