[phenixbb] questoin about AutoBuild

crystallogrphy qunwan1 at gmail.com
Sat Jun 27 09:36:35 PDT 2009

Deal All,
After I tried 9 runs of AutoSol from my MAD data by changing parameters
(resolution, heavy atom numbers), I got 9 results, named as: AutoSol_run_1_
to AutoSol_run_9_. I found #9 and #7 have the lowest Rfree, so I want to
pick the model from these two runs.
However, when I use "phenix.autobuild after_autosol", the resulting
AutoBuild files tell me that the  program picked the result from #5 of
AutoSol, not the lastest #9.

Does anyone know how can I specify the exact number of AutoSol to run

I also tried this command "phenix.autobuild data=resolve_3.mtz
model=overall_best.pdb seq_file=zntb-sd.seq"under the directory of
AutoSol_run_9_, but failed with the following word:
Failed to carry out AutoBuild_build_cycle:

Initial phenix refinement of
AutoBuild_run_2_/TEMP0/NO_LIG_NO_WAT_overall_best_edited.pdb with
exptl_fobs_phases_freeR_flags.mtz failed...quitting...
See AutoBuild_run_2_/LAST.LOG for more information
Please resolve the R-free flags mismatch.

Does anyone know where is wrong?

Qun Wan
Department of Pharmacology, Case Western Reserve University
10900 Euclid Avenue, Cleveland, OH 44106
email: qunwan1 at gmail.com
lab phone: 216-368-3337
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