[Chimera-users] clustering of docking solutions

[Elaine Meng]

Hi Sebastian,
the second link below shows how to put Chimera commands in python  
scripts:

>> See these previous posts for more general information on scripts:
>> <http://www.cgl.ucsf.edu/pipermail/chimera-users/2008-November/003261.html 
>> >
>> <http://www.cgl.ucsf.edu/pipermail/chimera-users/2008-November/003262.html 
>> >

Best,
Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html

On Nov 18, 2008, at 2:23 AM, Sebastian Kruggel wrote:

> Hi Elaine,
>
> thanks for the ideas - indeed it seems to be the simplest way to  
> write a small python script to loop over the ligands and use the  
> rmsd command (indeed I'm interested in the RMSD values as they are  
> and no best-fit). The examples I found in the mailing list were  
> command scripts - if I use python (to get better possibilities to  
> loop etc), how do I combine for instance the rmsd command in the  
> script?
>
> for i in os.system('./'):
>  rmsd #1.1 #1.i
>
> gives syntax error - of course because of the python/chimera  
> mixture... But how can I combine these two correctly?
> Sorry for these basic quesions...
>
> Best regards
> Sebastian
>
>
> Sebastian Kruggel
> Institut für Pharmazie
> Bundesstr. 45 | Raum 112
> D 20146 Hamburg
> Tel +49(0) 40 42838 3626
>