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 -- Dr Stephen Graham 1851 Research Fellow Cambridge Institute for Medical Research Wellcome Trust/MRC Building Addenbrooke's Hospital, Hills Road Cambridge, CB2 0XY, UK Phone: +44 1223 762 638
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
participants (2)
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Pavel Afonine
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Stephen Graham