[phenixbb] Partially occupied SO4 and waters

Chris Waddling waddling at msg.ucsf.edu
Tue Oct 20 16:57:24 PDT 2009

I have a partially occupied sulfate ion that is refining to 55% along with
one of two arginine side chains.   Associated with the second conformation
of the arginine, there is positive density for three partially occupied

In Shelxl, I can use the PART identifier to specify that the sulfate ion and
the waters are not present simultaneously and are associated with their
respective Arg side chain conformation.  Is there a way to do this in



Dr. Christopher A. Waddling, Ph.D.
University of California at San Francisco

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