On Mon, Sep 27, 2010 at 2:32 PM, Florian Schmitzberger
I am running Phenix version 1.6.4.-486 on imac. I just wanted to refine (phenix.refine) a model with MLHL target and experimental phase information. Strange thing is when I load the mtz file, as written out from Phenix Autosol (overall_best_denmod_map_coeffs.mtz) into the GUI, the Phenix refine GUI does not seem to any phase information. Only picks up FP and SIGFP labels; but not the Hendrickson-Lattman coefficients, which are present. The following message comes up when I try to chose mlhl refinement: " You have selected 'mlhl' as the refinement target, but no experimental phases were supplied. If you wish to use phase restraints in refinement, please add or select experimental phases, or choose another target function". I guess it is not such a major problem as I can save the .eff file and manually edit it to include the HL coefficients and then run Phenix (as long as Phenix then recognizes them from the mtz file).
You probably shouldn't be using that file for refinement - instead, use the one labeled "exptl_fobs_phases_freeR_flags_X.mtz" (X will be some integer corresponding to the solution number), which has R-free flags used for building. I'm not sure where the HL coefficients in overall_best_denmod_map_coeffs.mtz are coming from, although they may be identical to what's in the exptl_fobs file (Tom can clarify). That said, I couldn't reproduce the problem here - what other files did you load at the same time, and in which order? thanks, Nat