[phenixbb] transfering R-free flags

Nathaniel Echols NEchols at lbl.gov
Mon Sep 28 11:19:09 PDT 2009

On Sep 28, 2009, at 11:05 AM, Tirumala Kumar Chowdary wrote:
> I am trying to refine my model against a higher resolution file. I  
> want
> to transfer my R-free flags generated by phenix.refine from the lower
> resolution mtz to the higher resolution file.
> Is there a way to transfer the R-free flags in Phenix ? If not, where
> can I find the mtz file from my earlier refinement with R-free flags
> generated ? Does phenix.refine generate this file and save it for me
> somewhere ?

Yes, it will write it out in the same directory that you ran the  
refinement in - look for a file that ends with "_data.mtz".  In the  
most recent nightly builds the program phenix.reflection_file_editor  
can be used to merge and extend the R-free flags with your new data.   
(However, if you are trying to do this with a scalepack file  
containing anomalous data, better wait until later today or tomorrow,  
because I just fixed a bug for that.)

Nathaniel Echols
Lawrence Berkeley Lab
NEchols at lbl.gov

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