[phenixbb] occupancy refinement with constrained groups

Pavel Afonine pafonine at lbl.gov
Fri May 13 12:00:39 PDT 2016

In addition to that newsletter article that Nigel suggested you may also 
have a look at phenix.refine documentation here:


Let me know if you need help with this.


On 5/11/16 21:41, Schnicker, Nicholas J wrote:
> Dear all,
> I am trying to do use constrained groups with occupancy refinement but 
> struggling with syntax. I am trying to define selection1 as 2 
> different atoms and selection2 as another 2 different atoms. Therefore 
> I want the 2 atoms in selection1 to have the same occupancy and the 
> atoms in selection2 to have the same and the sum of selection 1 and 2 
> will be 1. If someone could help me with this syntax I would 
> appreciate it! I have tried using brackets to separate selections but 
> phenix doesn't recognize this.
> I can provide more information if needed, it's just a complicated 
> scenario.
> Thanks!
> Nick

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