[phenixbb] FreeR label?

J. Fleming moloch525 at gmail.com
Wed Mar 24 20:10:32 PDT 2010

Hello all,

  I used AutoSol to generate a model from my Se-Met crystal.  I then used
this output model, overall_best.pdb, for AutoBuild1 in which I extended the
data to include a set of native data.  At this point I took the
exptl_fobs_phases_freeR_flags.mtz output and used it with a different model
that I believe to be accurate to carry out AutoBuild2.  The problem I'm
having is that I can't run Refmac/Phenix refinements on the output from
AutoBuild2: overall_best.pdb and overall_best_denmod_map_coeffs.mtz.  Both
pieces of software say the FreeR labels are missing although in the
AutoBuild2 output PDB there is a FreeR test set count of ~2,000.   When I
list all labels in Refmac I see:


Using these labels doesn't work for refinement.  I used default settings for
AutoSol/AutoBuild except for the number of Se-Met sites and of course the f'
and f'' etc.  I'm assuming the problem is with the MTZ but I'm not sure
where to troubleshoot.  Does anyone have any thoughts?

Thanks in advance,
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