<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Frank,<div>To use phenix.multi_crystal_average you need one more step: take the model from your SeMet dataset and do MR on it in the native cell with native F. Now you have the correspondence between the two cells, and you can plug the 2 models and the one phase set and the native F's straight into phenix.multi_crystal_average to transfer the phase information to the native (and cross-crystal average).</div><div>All the best,</div><div>Tom T</div><div><br><div><div>On Jun 23, 2009, at 1:44 AM, Frank von Delft wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hi, I'm trying to to figure out how to transfer phases from a twinned <br>SeMet dataset to the native one for refinement.<br><br><br>1) SeMet dataset (2.9A) is solved (despite twinning), structure built, <br>refines 29/35 (ish)<br><br>2) SeMet crystals are hemihedrally twinned (confirmed by refining with <br>twin law), native probably too.<br><br>3) Native dataset (2.7A) has 5A difference in the long cell edge (478 vs <br>483A).<br><br><br><br>So I could (and will try to) simply copy the SeMet phases into the <br>native dataset, even though CC Fnat and Fsme is rather low (80-20%). <br>But would phenix.multi_crystal_average know what to do with this? It <br>has no explicit options, so I expected not.<br><br>Or how *would* one approach this?<br><br>Cheers<br>Frank<br><br><br>_______________________________________________<br>phenixbb mailing list<br><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br>http://www.phenix-online.org/mailman/listinfo/phenixbb<br></div></blockquote></div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div><div><div><div><br>Thomas C. Terwilliger<br>Mail Stop M888<br>Los Alamos National Laboratory<br>Los Alamos, NM 87545<br><br>Tel: 505-667-0072 email: <a href="mailto:terwilliger@LANL.gov">terwilliger@LANL.gov</a><br>Fax: 505-665-3024 SOLVE web site: <a href="http://solve.lanl.gov">http://solve.lanl.gov</a><br>PHENIX web site: http:<a href="http://www.phenix-online.org">www.phenix-online.org</a><br>ISFI Integrated Center for Structure and Function Innovation web site: <a href="http://techcenter.mbi.ucla.edu">http://techcenter.mbi.ucla.edu</a><br>TB Structural Genomics Consortium web site: <a href="http://www.doe-mbi.ucla.edu/TB">http://www.doe-mbi.ucla.edu/TB</a></div><div>CBSS Center for Bio-Security Science web site: <a href="http://www.lanl.gov/cbss">http://www.lanl.gov/cbss</a><br><br></div></div></div></div><br></div></div></span><br class="Apple-interchange-newline"> </div><br></div></body></html>