[chimera-dev] python for finding clashes
Jean Didier Pie Marechal
JeanDidier.Marechal at uab.cat
Tue Oct 28 07:15:48 PDT 2008
I am writing a script for which I need the number of clashes for a given selection for continuing.
My first thought was to simply run in my script:
runCommand("findclash selection ignoreIntraRes false")
after having selected the region I was interested in.
However, I realize that I come to the recurrent problem: having the information I am interested in printed in the reply log. I don't know how to have the info passed into an array or any kind of variable in the python environment. Could you tell me how to do so please?
On the other side, I would be pleased if you could tell me what is the correct arguments I have to pass and syntax I have to use for the functions detectClash and/or cmdDetectClash (which I guess is the basis of the same findclash).
All the best,
Dr. Jean-Didier Maréchal
Computational Bioorganic and Bioionorganic Chemistry @ Transmet
Unitat de Química Física
Departament de Química
Universitat Autònoma de Barcelona
08193 Cerdanyola (Barcelona)
e-mail: JeanDidier.Marechal at uab.es
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