
Hi, I am looking at running docking simulations locally, and see that with the vina command line execution (*vina* *docking* *receptor* *recmodel* <frameatom_spec.html> *ligand* *ligmodel* <frameatom_spec.html> *options <#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

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@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

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@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@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

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@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@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@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
participants (2)
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Elaine Meng
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Sam Freeman-Fox