[phenixbb] phenix.validate ? Or RSCC from command line?
pafonine at lbl.gov
Mon Jun 20 10:49:48 PDT 2011
phenix.model_vs_data model.pdb data.mtz comprehensive=true
will give you map CC computed per residue or per atom (depending on
resolution). Also, it will list 2mFo-DFc and mFo-DFc map values per atom
or per residue.
Additionally there is a more general tool
(phenix.real_space_correlation) which gives more fine controls, but I
guess phenix.model_vs_data should be just enough.
On 6/20/11 10:21 AM, Francis E Reyes wrote:
> Is there a great phenix cmd line utility that computes a real space
> correlation for each residue given model and data? I'll take a .py if
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