docking with flexible side-chains
Dear Chimera developers, Isn't docking with flexible side-chains supported in the AutoDock Vina GUI? I am surprised I didn't find any pertinent information about it in the documentation or the mailing list archives. thanks, Thomas -- ====================================================================== Thomas Evangelidis PhD student University of Athens Faculty of Pharmacy Department of Pharmaceutical Chemistry Panepistimioupoli-Zografou 157 71 Athens GREECE email: tevang@pharm.uoa.gr tevang3@gmail.com website: https://sites.google.com/site/thomasevangelidishomepage/
Hi Thomas, Sorry, it does not. The Chimera interface to AutoDock Vina only includes a limited set of options, fully documented here (or if you click the Help button on the interface): <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.html> I hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Apr 16, 2013, at 12:43 PM, Thomas Evangelidis wrote:
Dear Chimera developers,
Isn't docking with flexible side-chains supported in the AutoDock Vina GUI? I am surprised I didn't find any pertinent information about it in the documentation or the mailing list archives.
thanks, Thomas
You may want to try the web interface at NBCR, which includes a flexible sidechains option: <http://nbcr-222.ucsd.edu/opal2/CreateSubmissionForm.do?serviceURL=http://loc...> Elaine On Apr 16, 2013, at 1:26 PM, Elaine Meng wrote:
Hi Thomas, Sorry, it does not. The Chimera interface to AutoDock Vina only includes a limited set of options, fully documented here (or if you click the Help button on the interface):
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.html>
I hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 16, 2013, at 12:43 PM, Thomas Evangelidis wrote:
Dear Chimera developers,
Isn't docking with flexible side-chains supported in the AutoDock Vina GUI? I am surprised I didn't find any pertinent information about it in the documentation or the mailing list archives.
thanks, Thomas
participants (2)
-
Elaine Meng -
Thomas Evangelidis