[Chimera-users] recent problems running Autodock Vina
meng at cgl.ucsf.edu
Mon Mar 26 09:43:06 PDT 2018
Hi Arturo, Simon, and Sofia,
The message in Arturo’s question below says it is not a Chimera error, but a limit of the Autodock Vina web service, which is run by a different group (as mentioned in the help page, <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.html>).
We do not have direct control over this web service. My guess from reading the message is that there are too many job attempts (>99) causing the error, so I would wait a while and then try again. Trying again immediately or lots of times may make the problem worse. However, this is just a guess, so if you ALWAYS get the same message, maybe there is some other problem.
Just now I tried running an Autodock Vina job on the web service and it completed successfully.
I hope this helps,
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco
> On Mar 25, 2018, at 8:01 PM, Arturo Estolano Cobián <estolano.arturo at uabc.edu.mx> wrote:
> Dear Chimera Help Desk,
> I have a problem while running molecular docking on Chimera.
> After running Tools --> Surface/Binding Analysis --> AutoDock Vina, I do not get the results from the docking analysis.
> I get the regular name.receptor.pdb , name.receptor.pdbqt , name.ligand.pdb , name.ligand.pdbqt and name.conf files, but the name file (the docking results) does not generate.
> In the Reply Log I found this, which I assume is involved in the problem:
> standard error
> Unable to initialize environment because of error: cannot register event client. Only 99 event clients are allowed in the system
> Traceback (most recent call last):
> File "C:\Program Files (x86)\Chimera 1.11.2\share\chimera\tasks.py", line 179, in runStatusCB
> File "C:\Program Files (x86)\Chimera 1.11.2\share\WebServices\appWebService.py", line 171, in statusCB
> self.finishCB(self.backend, fileMap)
> File "C:\Program Files (x86)\Chimera 1.11.2\share\vina\ws.py", line 179, in _wsFinish
> raise NonChimeraError("No data file returned from "
> NonChimeraError: No data file returned from AutoDock Vina web service
> And I can't find how to solve this and get the results from the docking experiments I'm doing.
> Can you please help me solve this problem?
> Thank you in advance for your attention.
> Arturo Estolano Cobián
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