[phenixbb] Rotamer restraints in phenix.real_space_refine

Ashley Pike ashley.pike at sgc.ox.ac.uk
Wed Feb 27 10:54:23 PST 2019

Hi - Am I right in thinking that rotamer restraints behaves differently in latest official release (1.14-3260) compared to last but one official release (1.13-2998)? Issuing rotamer_restraints=True from command line or GUI used to give 0% rotamer outliers in the molprobity analysis at end of log in 1.13-2998 but now in 1.14 gives non-zero for same input model. It is as if they are not being applied.

In the old log file it used to clearly print - **Update rotamer restraints*** after every macrocycle, in the 1.14 logs this is omitted.

Many thanks,
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