[phenixbb] Still can't get refinement of anomalous groups to work
Brennan.Bonnet at lightsource.ca
Wed Jan 16 14:34:10 PST 2013
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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