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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