I am using xplor to refine a protein, and there is a large peak from fo-fc map that
is right on a 3-fold axis. I want to place an atom here to model this peak, but when
I do, by symmetry, I have 3 atoms all very close to each other, and xplor dies when i do
refinement. I have tried setting the occupancy to 1/3, but i get the same result. Is there
some way to turn off the interactions between model and symmetry?
thanks for any suggestions
pugmire at bio.cornell.edu