Hi XBL, Do you really need to use python? You can just use the Chimera command "swapaa" to mutate between any of the standard amino acid types. It does the hard work of calling the right code for you, the same code as the Rotamers tool. Here is more information on that command and its options: <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/swapaa.html> Most users prefer to use the command and/or graphical interfaces, when possible. These are more thoroughly documented than the code. (If you are doing a lot with the python code, it might be a question for chimera-dev@cgl.ucsf.edu instead of chimera-users@cgl.ucsf.edu) Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Feb 12, 2014, at 5:45 AM, Xiao-Bo Li wrote:
I would like to mutate one residue to another. So far, the only way I found is to use the rotamers of the other residues on the original.
I'm using chimera's python script. I would like to know if the NoResidueRotamersError will only be raised for residues that don't have rotamers like GLY.
If not, then how can I replace the amino acid residue that I want to mutate? I am using the "getRotamers" function, which returns this error.
XBL _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users