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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