[Chimera-users] Choose a specific rotamer

[Tom Goddard]

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.

     Tom


> 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)
>
>
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