[Chimera-users] Ellipsoids for 800 pdbs
meng at cgl.ucsf.edu
Thu Jun 14 08:46:14 PDT 2012
On Jun 14, 2012, at 4:54 AM, mselvaraj at mbu.iisc.ernet.in wrote:
> Dear Meng,
> I need to calculate ellipsoid axis for some 800 pdbs that I have in a
> directory using measur inertia command. I was trying to load one by one and
> calcualte, but I was huge. I read about python script for running in
> batches. Is there any chimera script for doing this?. I would like to get
> your help in doing this. Thanks in advance.
> Yours sincerely,
> M. Selvaraj,
> Graduate student,
> Molecular Biophysics Unit,
> Indian Institute of Science,
> Bangalore 560 012.
Dear M. Selvaraj,
The Chimera Programmer's Guide includes a primer on how to write a python script to process multiple structures:
It is better to send Chimera questions to chimera-users at cgl.ucsf.edu (or if advanced programming issues, to chimera-dev at cgl.ucsf.edu) instead of to me directly.
I hope this helps,
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
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