[Chimera-users] Running vina locally

[Elaine Meng]

Sorry no.  I believe it is possible to run the command version “vina” with “wait true” in Chimera nogui mode, but then you have no GUI at all (no Chimera window, etc.). 
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/vina.html>

nogui mode is specified at Chimera startup:
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/options.html#nogui>

If you want full access to all Autodock Vina settings, including higher levels of sampling, I would encourage you to not use Chimera as the middleman and instead run your local Autodock Vina directly.   With Chimera as the middleman, it is only in single-ligand mode with low sampling.

Best,
Elaine

> On Feb 6, 2019, at 6:32 AM, Sam Freeman-Fox <16068657 at brookes.ac.uk> wrote:
> 
> Many thanks, a follow up question to this with regards to running autodock vina. Is it possible to stop the view dock results from automatically appearing after a dock? Looking through the user guide I cannot see an option but could be overlooking it!
> 
> Thanks again,
> 
> Sam Freeman
> 
> On Fri, 1 Feb 2019 at 18:09, Elaine Meng <meng at cgl.ucsf.edu> wrote:
> Hi Sam,
> Autodock Vina is developed by the Trott group at Scripps.  Here is their website, and I see a download page:
> 
> <http://vina.scripps.edu/>
> <http://vina.scripps.edu/download.html>
> 
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D.                       
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> 
> > On Feb 1, 2019, at 5:08 AM, Sam Freeman-Fox <16068657 at brookes.ac.uk> wrote:
> > 
> > Hi,
> > I am looking at running docking simulations locally, and see that with the vina command line execution (vina docking  receptor recmodel  ligand ligmodel  options) one of the available options is to change the backend from using the Opal web service to a local executable.
> > Could you advise on where I would be able to download such a local executable in order to get this to run. 
> > Many Thanks,
> > Sam Freeman