I’ve always found the phenix.get_pdb_validation tool to be super helpful to gauge where my refinements are relative to the PDB, especially since I work mainly through the command line.

 

But sometime around late last year, the R-free metric stopped being calculated (probably related to “EDS: FAILED”).

 

Is there a way to bring this part of the tool back – or does anyone have a work around they can share?

 

I’m running the command like:

phenix.get_pdb_validation_report final-coot-3_refine_001.reflections.cif final-coot-3_refine_001.cif

with version:

phenix-2.0rc1-5599

 

Thanks

 

Tim