[phenixbb] Multiple conformation, two ligands
pafonine at lbl.gov
Tue Dec 31 18:40:33 PST 2013
if following manual does not help:
please send me data and model files (to me directly!), indicate atoms in
question and I will send you back working example.
On 12/31/13, 6:03 PM, YANG HAI wrote:
> 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.
> Happy new year!
> Yang Hai
> Christianson Lab
> University of Pennsylvania
> phenixbb mailing list
> phenixbb at phenix-online.org
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