[phenixbb] phenix.model_vs_data feature request

Pavel Afonine pafonine at lbl.gov
Tue Feb 15 08:13:07 PST 2011

  Hi Stephen,

I see how it may be helpful. Meanwhile you can do:

phenix.mtz.dump data.mtz

this will show you the content of your data file (labels). Next,

phenix.model_vs_data model.pdb data.mtz --f-obs-label=FOBS 

To see all options run it without arguments



On 2/15/11 5:26 AM, Stephen Graham wrote:
> Hi there,
> A simple feature request:
> Like most phenix programs, when run from the command line
> phenix.model_vs_data fails when it is passed an mtz file with multiple
> 'data' columns (i.e. Fs, F(+/-)s, Is).  However, unlike say
> phenix.xtriage it doesn't tell you the list of possible column
> combinations and the correct keyword.  Would it be possible to add
> this in?
> Thanks,
> Stephen

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