[phenixbb] HELP. semelno met refinement not working.

Kenneth A. Satyshur satyshur at wisc.edu
Thu Apr 24 10:00:42 PDT 2014

When I refine my seleno met residues in Phenix (1.8.4-1496) ALL my MSE are restrained to ONE conformer,
in coot terms ptp #11 with a Chi 1 of 60 deg. This happens at the start of the second cycle when it does 'rsrl'. I can
watch it happen in coot. POP! There is goes. Some of the MSE are in this conformation, but not all of them. 
This refinement is wrong, so how do I correct it?


Kenneth A. Satyshur, M.S.,Ph.D.
Senior Scientist
University of Wisconsin
Madison, Wisconsin 53706
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