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Matthew Pugmire pugmire at BIO.CORNELL.EDU
Thu Jul 20 09:25:14 EST 1995

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

Matt Pugmire
pugmire at bio.cornell.edu

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