[phenixbb] how to extend R-free set
immormino at gmail.com
Wed May 19 09:09:04 PDT 2010
Hopefully I'm just missing something obvious....
I'm trying to copy the Rfree set from an old set of data, to a new
mutant structure....and extend to higher resolution.
phenix.reflection_file_converter old.mtz --label="R-free-flags"
new.sca --label="i_obs,sigma" --mtz new.mtz
and several other combination, but I am still failing to get phenix to
read multiple data files and output the desired mtz. I can get just
the Rfree flags or the I and SigI, but not both.
I also tried with phenix.refine
phenix.refine --dry-run old.pdb old.mtz new.sca ligands.cif
This seems closer, but I get the error:
Sorry: R-free flags not compatible with F-obs array: missing flag for
492 F-obs selected for refinement:
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