[phenixbb] Phenix refine ligand with alt conf and occupancy<1

Leonhard Kick leonhard.kick at tum.de
Fri Mar 16 06:39:19 PDT 2018

Dear all,

I'm currently working on a structure with a series of ligands which have 
occupancies of ~80% (according to phenix.refine). So far so good, a few 
of these also show alternate conformations which I'd like to let phenix 
refine as well, but phenix.refine adjusts the occupancy of the whole 
ligand (conformation A+B) automatically to 1. I see that this is useful 
in most cases, but not in this one.

Is there a possibility to adjust the overall occupancy or another 
work-around that anyone can suggest?

Thank you



Leonhard Kick
AG Schneider
Technische Universität München
Dept. Chemistry, Chair of Biochemistry
Lichtenbergstr. 4
D-85748 Garching b. München
+49 89 289 13359
leonhard.kick at tum.de

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