Hi,

    I use the USF program mapman for both RSCC and RSR values for each residue; it works for ligands as well.
    But I would like to add a question here. Mapman requires an "..."observed" map would be (2mFo-DFc, PHIc)..." and a " ... "calculated" map would be (Fc, PHIc) ...", as stated in the manual. I interpret these to be the ones calculated with the phenix output (default names) labels 2FOFCWT/PH2FOFCWT and FMODEL/PHIFMODEL , respectively (input into mapman after due normalization).  I just wondered these are the very right lables to consider for this such calculation. And then, concerning phenix.get_cc_mtz_pdb, I wondered this is the consideration as well. And...,  a third question, would we do better excluding the R-free flagged reflections when calculating these maps?

Jorge
    
Hi,
Yes, you can use phenix.get_cc_mtz_pdb (see phenix.doc)

But I wonder if there is a way to get CC value for a ligand or a metal 
ion too ??

Nigel ???

  
Date: Tue, 2 Sep 2008 13:18:59 -0400
From: "nih\mayerm" <mayerm@mail.nih.gov>
Subject: [phenixbb] Real Space R value
To: phenixbb@phenix-online.org
Message-ID: <FEAAD2DC-1906-4194-881B-CA83B48E8043@mail.nih.gov>
Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed


Is it possible to calculate a list of Real Space R values for  
structures refined with phenix.refine ?
If so advice on how to do this would be greatly appreciated.

Thanks - Mark Mayer

  
    

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