[phenixbb] Multiple conformations

Alejandro Virrueta alejandro.virrueta at yale.edu
Wed Feb 24 10:09:03 PST 2016

This is not exactly phenix specific, but I was wondering what are some
commonly used methods to determine and validate the presence/occurrence of
multiple conformations for a given amino acid?

I am currently refining (for 5 cycles) a pdb with the occupancy of atoms of
a specific residue set to 0, and then looking at the difference density map
contoured to 3 sigma for extra density. Is this somewhat correct? What else
could/should I do? Would using OMIT maps help? (What are OMIT maps, and how
do I generate them?)

Alex (not a crystallographer)
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