[phenixbb] phenix autosol

Terwilliger, Thomas Charles terwilliger at lanl.gov
Fri Mar 11 19:48:43 PST 2016

?Hi Vandna,

I'm sorry there are so many files from autosol...I know it is not obvious what to use.

You want to use:

  overall_best.pdb as your best working model

  overall_best_refine_data.mtz as your refinement data and

      experimental phase information also used in refinement

  overall_best_denmod_map_coeffs.mtz as your best working map coefficients.

Let me know if that doesn't do it!

All the best,

Tom T

From: phenixbb-bounces at phenix-online.org <phenixbb-bounces at phenix-online.org> on behalf of Vandna Kukshal <vanxray at gmail.com>
Sent: Friday, March 11, 2016 5:52 PM
To: PHENIX user mailing list
Subject: [phenixbb] phenix autosol

Hi ,
            I am solving a structure using selenium SAD using autosol. Autosol gave me nice solution but many loop and side chain density is missing.
autosol gave me many different output MTZ files .
for building further in coot which MTZ file i should use and for refinement in phenix refinement which MTZ file i should use . I tried doing refinement with .sca file it gave me increase Rfree afte single cycle of refinement .
thanks for your suggestions.

Vandna Kukshal
Postdoctral Research Associate
Dept. Biochemistry and Molecular Biophysics
Washington University School of Medicine
660 S. Euclid, Campus Box 8231
St. Louis, MO 63110
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