<div dir="ltr">Dear Smith,<br><br>Given that your runs differ in presence of Individual B-factors, Occupanies, Optimize X-ray/sterochemistry weight in the first run, in the corresponding .eff file you should contain something like <br><br> strategy = *individual_sites *individual_sites_real_space rigid_body \<br> *individual_adp group_adp tls *occupancies group_anomalous<br><br>when in the second .eff file it should look like<br> strategy = *individual_sites *individual_sites_real_space rigid_body \<br> individual_adp group_adp tls occupancies group_anomalous<br><br>Pay attention to the stars.<div><br>Optimize X-ray flag should result in <br> optimize_xyz_weight = True<br>instead of <br> optimize_xyz_weight = False<div><br></div><div>Diff tools suggested by Tim should be useful to locate these small changes.</div></div><div><br></div><div>Best regards,</div><div>Oleg.</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Mar 19, 2015 at 7:09 AM, Smith Liu <span dir="ltr"><<a href="mailto:smith_liu123@163.com" target="_blank">smith_liu123@163.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><div>Dear All,</div><div> </div><div>Someone told me from the refine eff file, I can know what is my strategy for my refinement.</div><div> </div><div>I have run 2 refines with the same input files, For one refine, in the graphical interface I have checked xyz-coordinates, Real-space, Individual B-factors, Occupanies, Optimize X-ray/sterochemistry weight, Automaticaly orrect N/Q/H erros. For the other refine, I only checked XYZcoordinates, Real-space and Autonomously correct N/Q/H errors.</div><div> </div><div>I have checked the eff files from the 2 diffrent refines, but I cannot find any diffrence in the eff file.</div><div> </div><div>Thus will you please tell me how to find the diffrence in the 2 eff files? Or my strategies for each refine was recorded in the other files?</div><div> </div><div>I am looking forward to getting your reply.</div><span class="HOEnZb"><font color="#888888"><div> </div><div>Smith</div></font></span></div><br><br><span title="neteasefooter"><span></span></span><br>_______________________________________________<br>
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