[Chimera-users] Choose a specific rotamer

Tom Goddard goddard at sonic.net
Fri Feb 11 14:18:54 PST 2011

Hi Elisabeth,

   The useRotamers() documentation says it adds each rotamer using atom 
alternate location specifiers A,B,C,D,E,....  To show the second Rotamer 
(altloc B) the Chimera command would be

     show @.B

 From Python you can run a Chimera command using

     from chimera import runCommand
     runCommand('show @.B')

Another idea is to only call useRotamer() with a list containing the one 
rotamer you want to show, instead of all rotamers.


> Hi all,
> I'm trying to do a script to display the "best" rotamer of all the 
> rotamers that the funcion getRotamers give to me. I use the function 
> useRotamers to display them but now I only want to display the rotamer 
> with the less number of clashes and the highest number of h-bonds. I 
> know that getRotamers return to us a list with all the rotamers of an 
> aminoacid sorted by probability but I don't have any idea about how 
> display only one of the rotamers. Anyone know how I can do it?
> Thanks in advance.
> Elisabeth
> Universitat Autònoma de Barcelona (Spain)
> _______________________________________________
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users

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