[phenixbb] Fixing a ligand by a symmetry axis

Simon Kolstoe s.kolstoe at ucl.ac.uk
Wed Nov 3 09:41:04 PDT 2010

Dear Phenix bb,

I have a palindromic ligand bound to my protein that crosses a  
symmetry axis. Although the head-group that is in close contact with  
the protein refines beautifully (in phenix..refine version 1.6.4 run  
from the command line on a mac), the atom closest to the symmetry axis  
get knocked away from the equivalent atom that it binds to on the  
other side of the symmetry axis. Is there any way of stopping  
phenix.refine from refining the atoms closest to the symmetry axis, or  
should I just manually position the wayward atom in the appropriate  
orientation prior to my structure deposition?



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