[phenixbb] on "occupancies" in the phenix.refine GUI

Tim Gruene tim.gruene at psi.ch
Mon Sep 7 07:37:27 PDT 2015

Dear Smith,

the model building menu in coot has an "Add Alt Conf..." entry. Click it, and 
you get what you want.


On Monday, September 07, 2015 09:31:24 PM Smith Liu wrote:
> Dear All,
> In my map for a specific HISresidue, it was rather clear the sidechain has 2
> conformations. In my start modle, I only have the PDB for 1 of the 2
> conformations of the sidechain. With "occupancies" clicked, the refined PDB
> still only contain the PDB for 1of the 2 conformations of the sidechain
> (occupancy is 1).
> Thus in order to have the GUI "occupancies" takes function, I need manually
> add the PDB for the conformation of the other side chain, am I right? If I
> am right,will you please show me an PDB example which contains the
> conformations for 2 or several sidechains of a residue, so that I can know
> how to edit this kind of PDB?
> Best regards.
> Smith

Paul Scherrer Institut
Dr. Tim Gruene
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297


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