[phenixbb] mlhl refinement
pafonine at lbl.gov
Mon Sep 27 17:18:49 PDT 2010
> I would also like to refine f' and f'', as the data are from a
> selenomethionine derivatized protein. From what I can see the default
> in Phenix.Autosol seems to be not to keep the F+/- and Dano labels for
> the output mtz file? So I suppose I do need to provide the initial mtz
> file or is there a way to change the output options for the
> coefficients in Phenix Autosol?
all you need to refine f' and f'' is the experimental data Fobs+/Fobs-.
phenix.refine does not use Dano (I don't even know what it is).
Also you need to specify the anomalous scatterers. For details see:
Note that you can't use mlhl target to refine f' and f'', so use ml instead.
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