[phenixbb] Multiple conformation, two ligands
yanghai at sas.upenn.edu
Tue Dec 31 18:03:22 PST 2013
Dear Phenix Community,
I tried to model two ligands one of which has two conformations. In other
words, the two scenarios are: 1) ligand X with conformation A (XA, 75%
occupancy); 2) ligand X with conformation B (XB, 25% occupancy) plus
another ligand Y. However, the problem is ligand Y will have steric clash
with ligand XA. If I rename ligand X and Y to the same residue name then I
do not know how to define the CIF file.
I apologize if this question was asked before and I do not know how
Phenix or other refinement can deal with multiple conformation a group of
Happy new year!
University of Pennsylvania
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