[phenixbb] autosol : unmerged data with input_phase_file

Tom Terwilliger terwilliger at lanl.gov
Tue Nov 30 12:52:14 PST 2010

Hi Bryan,

Hmmm...it seems to work for me.  I just tried this (where p9.mtz has phases and is merged data, and where p9_se_w2.sca is unmerged:

phenix.autosol chain_type=PROTEIN p9_se_w2.sca debug=True resolution=3.5 sites_file= p9_ha.pdb build=false have_hand=True correct_aniso=False test_correct_aniso=False unit_cell="113.949 113.949  32.474 90.000  90.000  90.00" space_group=I4 residues=200 solvent_fraction=None ncs_copies=1 input_phase_file=p9.mtz

Let me know if that doesn't answer your question or if still it does not work for you!

All the best,
Tom T

On Nov 30, 2010, at 1:05 PM, Bryan Lepore wrote:

> dev-595
> i gather that autosol will not take unmerged data when the
> input_phase_file originates from merged data.
> e.g. in "method #2 for MRSAD".
> -Bryan
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Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
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