[phenixbb] PDB Statistics
pafonine at lbl.gov
Wed Dec 1 11:36:01 PST 2010
> 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
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb