[phenixbb] PDB Statistics

Pavel Afonine pafonine at lbl.gov
Wed Dec 1 11:36:01 PST 2010

  Hi Joel,

> What is the command to report the average ADP for protein main chain 
> and side chains (Similar to the CNS model_stats function)? Is there 
> also an easy command to report average ADP of protein, solvent and 
> ligands separately? 

phenix.model_vs_data model.pdb data.mtz

More information:

J. Appl. Cryst. (2010). 43, 669-676
phenix.model_vs_data: a high-level tool for the calculation of 
crystallographic model and data statistics
P. V. Afonine, R. W. Grosse-Kunstleve, V. B. Chen, J. J. Headd, N. W. 
Moriarty, J. S. Richardson, D. C. Richardson, A. Urzhumtsev, P. H. Zwart 
and P. D. Adams

You probably need to use a recent version of PHENIX.


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