[phenixbb] How to define a disulfide bond between symmetry related molecules in phenix.refine
michael at hothorn.de
Wed Feb 25 02:03:12 PST 2015
I am trying to refine an intermolecular disulfide bond in phenix.refine.
The disulfide involves Cys 188 in chain A and Cys 188 of chain B of a
symmetry related molecule, with symop -X, Y+1/2, Z+1/2. There are two
molecules in the AU, SG is P212121. I generated the following SSBOND
entry in the pdb header:
SSBOND 2 CYS A 188 CYS B 188 1555 3555 2.04
Based on this:
format seems fine, but the disulfide is not being recognized during
Could someone point out to me how to correctly define this for
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