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 ligands.
Thanks.
Happy new year!
Yang Hai
Christianson Lab
University of Pennsylvania