autosol : unmerged data with input_phase_file
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
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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Thomas C. Terwilliger Mail Stop M888 Los Alamos National Laboratory Los Alamos, NM 87545 Tel: 505-667-0072 email: [email protected] Fax: 505-665-3024 SOLVE web site: http://solve.lanl.gov PHENIX web site: http:www.phenix-online.org ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss
On Tue, Nov 30, 2010 at 3:52 PM, Tom Terwilliger
I just tried this (where p9.mtz has phases and is merged data, and where p9_se_w2.sca is unmerged:
i used unmerged .mtz, then got incomprehensible characters in solve.log, hence the email ;^) gave autosol .hkl, autosol wants the cell now, so :
unit_cell=" (.....)"
so now, it is going OK! -Bryan
participants (2)
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Bryan Lepore
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Tom Terwilliger