[phenixbb] real space residuals

[Pavel Afonine]

Hi,

option 1:

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

will output map CC per atom or per residue.

option 2:

phenix.real_space_correlation

can be used if more fine-tuning is needed.

option 3:

phenix.get_cc_mtz_mtz
and
phenix.get_cc_mtz_pdb

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

Pavel


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
>
>
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> phenixbb at phenix-online.org
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