1. Phenix.refine
phenix.refine "in.pdb" "Fobs.mtz"
"refinement.input.xray_data.labels=FP SIGFP"
"refinement.input.xray_data.high_resolution=2.50"
"fix_rotamers=True" "ordered_solvent=True"
"strategy=tls+individual_sites+individual_adp"
Final R-work = 0.1829, R-free = 0.2141
2. Phenix.model_vs_data
phenix.model_vs_data out.pdb Fobs.mtz f_obs_label="FP"
r_free_flags_label="FreeR_flag" high_resolution=2.50
comprehensive=true
r_work(re-computed) : 0.1808
r_free(re-computed) : 0.2099
How can I reproduce the phenix.refine R-factors in
phenix.model_vs_data?
--
Thanks,
Abhinav
JCSG@SSRL, SLAC
(650) 926-2992