[phenixbb] phenix autosol
vanxray at gmail.com
Sun Mar 13 07:28:46 PDT 2016
thank you very much for your reply.
so as i understand that for further refinement I have to use
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 <
terwilliger at lanl.gov> 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:* 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
> 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
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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