[phenixbb] real space residuals

Pavel Afonine pafonine at lbl.gov
Mon Sep 26 13:02:29 PDT 2011


option 1:

phenix.model_vs_data model.pdb data.mtz comprehensive=true

will output map CC per atom or per residue.

option 2:


can be used if more fine-tuning is needed.

option 3:


Also, it is under 30 lines of Python code if using CCTBX.


On 9/26/11 12:56 PM, Bradley Hintze wrote:
> Hey phenix,
> I see a util for real space correlation. Real space residuals are 
> slightly different. Is the a tool to calculate RSR in phenix?
> -- 
> Bradley J. Hintze
> Duke University
> Graduate Student
> Department of Biochemistry
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
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