[Chimera-users] docking with flexible side-chains

Elaine Meng meng at cgl.ucsf.edu
Tue Apr 16 13:41:35 PDT 2013


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://localhost:8080/opal2/services%2Fvina_1.1.2>

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
>> 
> 




More information about the Chimera-users mailing list