[phenixbb] refinement with fake mtz file

Raja Dey rdey at usc.edu
Wed Jan 13 10:39:56 PST 2010

    I was trying to refine a model using a fake mtz file created from model. This mtz file contains h, k, l, FMODEL, PHIFMODEL

I used in the command line as follows:
phenix.refine model.updated.pdb_modified.pdb elbow.model_updated_pdb_modified_pdb.all.cif model.updated.pdb.mtz input.xray_data.labels=FMODEL strategy=individual_sites main.bulk_solvent_and_scale=false main.number_of_macro_cycles=10

I got the following error

iotbx.reflection_file_utils.Sorry_Not_a_suitable_array: Not a suitable array of observed xray data: refinement.input.xray_data.labels=FMODEL
No array of observed xray data found.

I think the command I used is not correct. I need to know the correct command to run this refinement.


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