[phenixbb] Constrained groups for occupancy refinment
jan.abendroth at gmail.com
Mon Mar 7 10:02:10 PST 2016
I have a case where a residue is in two alternative conformations for chain
A and chain B. This residue (Arg 62) happens to be close to its NCS mate,
such that only conformations A for both chains or only conformations B can
take place at the same time.
I tried to follow guidance from the CNG newsletter 2015/07 and set up the
constrained groups as shown below. However, the refinement crashes with an
Any ideas what I could have done differently?
selection = chain A and resseq 62 and altloc A or \
chain B and resseq 62 and altloc A or
selection = chain A and resseq 62 and altloc B or \
chain B and resseq 62 and altloc B or
Seattle / Bainbridge Island, WA, USA
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