[phenixbb] Defining heavy atom sites for AutoSol

[Kyle Dolan]

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

Cheers,
Kyle

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