<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Peter,<div>You can do this with phenix.solve using a script like this:</div><div><br></div><div><div>#!/bin/csh -f</div><div>phenix.solve --giant <<EOD</div><div>symfile $PHENIX/solve_resolve/ext_ref_files/p21.sym</div><div>CELL 25.0 25. 25. 90 100. 90</div><div>resolution 5 20.0</div><div>infile(1) ha.pdb ! input file with coordinates to be mapped</div><div>infile(2) coords.pdb ! pdb file with object that we want to be close to</div><div>outfile atoms.mapped ! atoms mapped close to object</div><div>dismin 0.0 ! Only atoms with a closest distance to an atom</div><div>dismax 1000.0 ! in object between dismin and dismax will be</div><div> ! written out. Default= 0 to 1000000.</div><div>maptoobject ! map them as close to the object as possible</div><div>EOD</div><div><br></div><div>All the best,</div><div>Tom T</div><div><br></div><div><br></div><div><div>On Jul 6, 2010, at 6:11 AM, Peter Grey wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Dear all,<br><br><br>Phaser SAD module found roughly 200 sites of my heavy atom. Phaser writes the location of the sites within an ASU.<br>I am looking for a tool that can transform these sites to the corresponding sites within and just around my model. <br> <br>Thank you in advance for any suggestions,<br><br>Peter.<br><br> _______________________________________________<br>phenixbb mailing list<br><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br>http://phenix-online.org/mailman/listinfo/phenixbb<br></blockquote></div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="font-size: 12px; "><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>