[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.

Best,
Tim

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
OFLC/107
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297

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