[phenixbb] Defining heavy atom sites for AutoSol

Kyle Dolan ktd at uchicago.edu
Thu Jul 22 12:10:24 PDT 2010

Hi all,

I used AutoSol to generate SAD phases for a protein after completing a
partial MR model. My strategy worked, but I noticed there were more heavy
atom sites in the solution than I was expecting. Having continued to build
and refine the structure, I am fairly certain that I know which sites are
the real sites and which ones are noise. I would like to use the real sites
to reproduce the experimental phases in AutoSol or another Phenix module to
perhaps improve the map quality (essentially running just SOLVE or Phaser
without HYSS or model-building). What is the right approach? I am guessing
something like this:

phenix.autosol data.sca sequence.dat sites_file=sites.pdb build=False


Kyle T. Dolan
Department of Biochemistry and Molecular Biology
The University of Chicago
ktd at uchicago.edu
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