[phenixbb] occupancy refinement with constrained groups

Schnicker, Nicholas J nicholas-schnicker at uiowa.edu
Wed May 11 21:41:17 PDT 2016

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.


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