[Chimera-users] Non-alphanumeric character in keyword
meng at cgl.ucsf.edu
Tue Oct 27 09:59:45 PDT 2015
My guess is that you must be careful specify an output location where you have permission to write files, e.g. “output ~/Desktop/mytest”
Maybe when you used the GUI, you had browsed to such a location.
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
> On Oct 27, 2015, at 8:51 AM, MPI <mpi566 at gmail.com> wrote:
> Dear Eric and Elaine,
> Thanks for the solution.
> It works but one of result files ( say, mytest.pdbqt if mytest is
> prefix) will NOT come out if the command of vina is provided in a
> script instead of GUI.
> I guess that the main output ( mytest.pdbqt) will directly be given
> into viewdock in GUI mode and it will be saved but not in a script.
> I wonder if there is a way to save the main output (mytest.pdbqt) in
> a script so that I can view the result of mytest.pdbqt later.
>> On Oct 25, 2015, at 7:38 AM, MPI <mpi566 at gmail.com> wrote:
>> Dear users,
>> In Chimera, I tried to run a vina docking in command line like
>> vina docking receptor #0 ligand #1 output mytest search_center 10,20,30
>> There is an error:
>> Non-alphanumeric character in keyword 'search_center'
>> I have tried tweaking the keyword 'search_center' in different ways
>> but the error won't go.
>> Dose anyone know how to fix it ? or is this format correct ?
>> Many thanks,
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