[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
Best
Leo
--
==================================================
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
==================================================
More information about the phenixbb
mailing list