[phenixbb] How to fix atoms in refinement

Pavel Afonine pafonine at lbl.gov
Thu May 7 12:29:52 PDT 2015

Hi Raj,

> Hi, I have flexible a flexible loop in my structure and every time i 
> refine it derange ramachandrans. Can anyone suggest how can i fix 
> these flexible residues in phenix refinement so basically i don't 
> wanna refine them. Can i do this in GUI?

Refinement settings -> Modify selections for (XYZ coordinates, this is 
the default) -> Edit

then enter atom selections, (example: chain A and resseq 12:15)

Alternatively you can apply Ramachandran plot restraints selectively to 
these loops.

Also, doing weights optimization may be helpful too.


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