[phenixbb] question about phenix.refine
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Thu Sep 3 16:32:42 PDT 2009
> I want to use phenix to refine a model right after autobuild with the
> following script:
> phenix.refine xray_data.file_name=exptl_fobs_phases_freeR_flags.mtz
> overall_best-090903a.pdb strategy=rigid_body+individual_sites
> simulated_annealing=true simulated_annealing.start_temperature=8000
> sites.rigid_body="chain A" sites.rigid_body="chain B"
Could you try the same command but without the "xray_data.file_name="?
I.e.:
phenix.refine exptl_fobs_phases_freeR_flags.mtz
overall_best-090903a.pdb strategy=rigid_body+individual_sites
simulated_annealing=true simulated_annealing.start_temperature=8000
sites.rigid_body="chain A" sites.rigid_body="chain B"
Let me know if that doesn't work.
Ralf
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