<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Phil,<div>That script looks fine. If you have NCS, then it is good to add</div><div><br></div><div>ha_file my-ha-sites.pdb</div><div><br></div><div>so that it can find the NCS. Also your script will build a model...to skip that say</div><div><br></div><div>no_build</div><div><br></div><div>If you are building a model I'd recommend also trying phenix.autobuild which will generally do much better than the resolve run in your script.</div><div><br></div><div>If you are wanting to run HYSS -> PHASER -> RESOLVE then you can also just run phenix.autosol which will do that for you.</div><div><br></div><div>All the best,</div><div>Tom T</div><div><br><div><div>On Jul 13, 2009, at 11:35 AM, Phil Jeffrey wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Although my usual m.o. is SHELX -> SHARP I'm exploring<br>HYSS -> PHASER -> RESOLVE to see if the maps are any more interpretable. <br> I think I've got good scripts for the first two steps but I'm not sure <br>about my resolve script which stands at:<br><br>phenix.resolve << EOD<br>hklin myp3_auto.mtz<br>LABIN FP=F SIGFP=SIGF PHIB=PHIB FOM=FOM HLA=HLA HLB=HLB HLC=HLC HLD=HLD<br>hklout resolve.mtz<br>solvent_content 0.45<br>seq_file myp3.pir<br>EOD<br><br>This runs, but I could not tell from delving into the documentation if <br>this was ideal or not.<br><br>Thanks<br>Phil Jeffrey (a Luddite and not using the GUI)<br>Princeton<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>