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[ccp4bb]: Geometry problems in Refmac
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I'm trying to refine a liganded protein structure in
Refmac, but the geometry of the ligand keeps going to pot.
(In fact, the distortions of the ligand geometry are so
extreme as to be visible by eye.) I tried to use the
ligand sketcher to make a new monomer library entry for
the ligand, but if anything the distortions have gotten
worse. Does anyone have any idea what I might be doing
wrong?
-Ben Sandler