thank you very much for your reply. so as i understand that for further refinement I have to use overall_best_refine_data.mtz as well as exptl_fobs_phases_free R_flag.mtz file (which include exptl phases with Free R ). and in auto build i have to give overall_best_denmod_map_coeffs.mtz as well as in coot i have to use same. After solving fromSAD i have trouble understanding all these files. let me know if i understood correctly. thanks for your valuable reply. On Fri, Mar 11, 2016 at 10:48 PM, Terwilliger, Thomas Charles < [email protected]> wrote:
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:* [email protected] < [email protected]> on behalf of Vandna Kukshal < [email protected]> *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
-- 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