[phenixbb] phenix.model_vs_data feature request

[Pavel Afonine]

  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 
--r-free-flags-label=FreeRflags

To see all options run it without arguments

phenix.model_vs_data

Pavel.


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
>