[phenixbb] autosol/phaser : weak site search and sites

Thomas C. Terwilliger terwilliger at lanl.gov
Wed Nov 10 10:31:45 PST 2010


Hi Bryan,

If you are still running MIR/SIR, then there are two stages where sites
are found or added, in HYSS (heavy-atom search) and in Solve (finding
sites by difference Fourier).  By using

    sites_file=one_site.pdb

you disable the HYSS search and use the site from one_site.pdb, but the
difference fourier step still occurs.

For SIR, you can disable this too, with the keyword:

   ha_iteration=False

Let me know if that doesn't do it,
All the best,

-Tom



>> dev-572
>>
>> is there a keyword to disable phaser's weak site search in an autosol
>> run? it seems that using sites=1, max_single_sites=1,
>> sites_file=one_site.pdb isn't doing it.
>>
>> -Bryan
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