[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



More information about the phenixbb mailing list