[phenixbb] If HL coefficients are in the .mtz phenix.refine is ignoring my refinement.target= ml specification?

Pavel Afonine PAfonine at lbl.gov
Fri May 8 16:45:21 PDT 2009

Hi Francis,

> It seems that despite me specifying refinement.main.target=ml in my  
> def file, phenix.refine seems to want to keep refining against HL  
> coefficients. 

If your input data file contains HL coefficients, phenix.refine 
automatically chooses to use them in refinement. To disable this, use 
"main.use_experimental_phases=false" parameter.

> It seems overtly out of the way to remove the HL  
> coefficients definition (both the label and file) from the def file as  
> well. Am I doing something wrong then (i.e. does it keep going back to  
> refining experimental phases for some valid reason?) 

Run two refinements in parallel: with and w/o using HL, and see which 
one ends up with better statistics. Allow enough of macro-cycles for 
both refinements to assure full convergence (5-10).


More information about the phenixbb mailing list