[phenixbb] Option to select array from mtz in phenix.real_space_refine?
bkpoon at lbl.gov
Wed Oct 5 14:12:01 PDT 2016
When you provide a MTZ file with map coefficients to the
phenix.real_space_refine GUI, the widget labeled "Map coefficients label"
should refresh and provide a list of available arrays. It should behave the
same way as the "Data labels" and "Phase labels" widgets in the
phenix.refine GUI. If the "Map coefficients label" widget is not displaying
the arrays in your MTZ file, can you provide your file so that I can take a
closer look? Thanks!
Billy K. Poon
Research Scientist, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
1 Cyclotron Road, M/S 33R0345
Berkeley, CA 94720
Tel: (510) 486-5709
Fax: (510) 486-5909
On Wed, Oct 5, 2016 at 2:02 PM, Oliver Clarke <olibclarke at gmail.com> wrote:
> I find phenix.real_space refine very effective for initial refinement of a
> model against a density modified map after molecular replacement (with
> morphing and reference restraints etc enabled).
> However, when I do this it seems like if there is more than one array of
> map coefficients in the file there is no way to select which columns to
> use, unlike for phenix.refine - would it be possible to add such an option?
> Currently I just use cad in ccp4 to make a file with the desired columns,
> but it would be a smoother process if the desired column labels could be
> specified directly at run time.
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