[phenixbb] phenix autosol

[Vandna Kukshal]

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 <
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
> 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
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