[phenixbb] text output for model quality and validation report at phenix

[Nathaniel Echols]

On Jan 4, 2010, at 10:46 AM, Ravindra D. Makde wrote:
> I will greatly appreciate the answers to following query:
> 
> How can  I get the text or excel output of the model quality and validation report  of a model after phenix refinement? 
> I am specially interested in real space CC of the various residues. 
> I am  using phenix.refine_gui  at phenix-1.4-162. I have searched all output files, but couldn't find.


To start with, please update to at least 1.5-2.

I'm not sure if 1.5-2 includes the text dump, but in the most recent installers there is a file named something like "refine_1-info.txt" that contains lists of all outliers  (geometry and RSCC).  However, it won't show anything other than outliers, which are fixed at CC < 0.7 (for the RSCC) or deviation > 4sigma (for geometry).  It's not difficult to add user preferences for these (and complete listings of RSCCs), so I'll see if I can get this into the next build (sometime this week).

-------------------
Nathaniel Echols
Lawrence Berkeley Lab
510-486-5136
NEchols at lbl.gov