These all output correlation coefficients, not residuals.
On Mon, Sep 26, 2011 at 1:02 PM, 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
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb