[phenixbb] Still can't get refinement of anomalous groups to work

Brennan Bonnet Brennan.Bonnet at lightsource.ca
Wed Jan 16 14:34:10 PST 2013

Hi all,

I'm still working on this pesky anomalous group refinement problem.  Originally, the problem was that the output from AutoBuild no longer retained the anomalous data.  To fix this, I used the Phenix reflection file editor and combined exptl_fobs_phases_freeR_flags.mtz (which is automatically entered as input when running phenix.refine from AutoBuild) with the F+ F- values from my original reflection data.  Now when I try to run refinement I get this error message: 

"This model appears to have previously been refined against a different set of R-free flags.  Please resolve the mismatch."

I find this strange since I am only modifying the file that phenix.refine tries to use anyway.  How do I fix this problem?


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