<div dir="ltr">thank you very much for your reply.<div> so as i understand that for further refinement I have to use <span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px">overall_best_refine_data.mtz as well as exptl_fobs_phases_free R_flag.mtz file (which include exptl phases with Free R ).</span></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px">and in auto build i have to give </span><span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px">overall_best_denmod_map_</span><span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px">coeffs.mtz as well as in coot i have to use same. </span></div><div>After solving fromSAD i have trouble understanding all these files. </div><div>let me know if i understood correctly.</div><div>thanks for your valuable reply. </div><div><span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px"><br></span></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Mar 11, 2016 at 10:48 PM, Terwilliger, Thomas Charles <span dir="ltr"><<a href="mailto:terwilliger@lanl.gov" target="_blank">terwilliger@lanl.gov</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr" style="font-size:12pt;color:#000000;background-color:#ffffff;font-family:Calibri,Arial,Helvetica,sans-serif">
<p>Hi Vandna,<br>
</p>
<p><br>
</p>
<p>I'm sorry there are so many files from autosol...I know it is not obvious what to use.<br>
</p>
<p><br>
</p>
<p>You want to use:<br>
</p>
<p><br>
</p>
<p> overall_best.pdb as your best working model<br>
</p>
<p><br>
</p>
<p> overall_best_refine_data.mtz as your refinement data and </p>
<p> experimental phase information also used in refinement<br>
</p>
<p><br>
</p>
<p> overall_best_denmod_map_coeffs.mtz as your best working map coefficients.<br>
</p>
<p><br>
</p>
<p>Let me know if that doesn't do it!<br>
</p>
<p>All the best,<br>
</p>
<p>Tom T<br>
</p>
<p><br>
</p>
<div style="color:rgb(33,33,33)">
<hr style="display:inline-block;width:98%">
<div dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> <a href="mailto:phenixbb-bounces@phenix-online.org" target="_blank">phenixbb-bounces@phenix-online.org</a> <<a href="mailto:phenixbb-bounces@phenix-online.org" target="_blank">phenixbb-bounces@phenix-online.org</a>> on behalf of Vandna Kukshal <<a href="mailto:vanxray@gmail.com" target="_blank">vanxray@gmail.com</a>><br>
<b>Sent:</b> Friday, March 11, 2016 5:52 PM<br>
<b>To:</b> PHENIX user mailing list<br>
<b>Subject:</b> [phenixbb] phenix autosol</font>
<div> </div>
</div><div><div class="h5">
<div>
<div dir="ltr">
<div style="font-size:12.8px">
<div>Hi , <br>
</div>
I am solving a structure using selenium SAD using autosol. Autosol gave me nice solution but many loop and side chain density is missing. <br>
</div>
<div style="font-size:12.8px">autosol gave me many different output MTZ files . <br>
</div>
<div style="font-size:12.8px">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 . <br>
</div>
<div style="font-size:12.8px">thanks for your suggestions.</div>
<div><br>
</div>
-- <br>
<div><font face="verdana, sans-serif" size="1" style="font-family:verdana,sans-serif">Vandna Kukshal<br>
Postdoctral Research Associate</font><br>
Dept. Biochemistry and Molecular Biophysics<br>
Washington University School of Medicine<br>
660 S. Euclid, Campus Box 8231<br>
St. Louis, MO 63110</div>
</div>
</div>
</div></div></div>
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</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><font style="font-family:verdana,sans-serif" face="verdana, sans-serif" size="1">Vandna Kukshal<br>Postdoctral Research Associate</font><br>Dept. Biochemistry and Molecular Biophysics<br>Washington University School of Medicine<br>660 S. Euclid, Campus Box 8231<br>St. Louis, MO 63110</div>
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