<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>I have a SAD map which is beautiful, but I want to look for more heavy atoms before further refinement...</div><div><br></div><div><br></div>Would the proper procedure be.... <div><br></div><div><br></div><div><span class="Apple-style-span" style="font-family: verdana; font-weight: bold; -webkit-border-horizontal-spacing: 2px; -webkit-border-vertical-spacing: 2px; ">SAD dataset, reading heavy-atom sites from a PDB file written by <b>phenix.hyss</b>:<pre>phenix.autosol 11 Pb data=deriv.sca seq_file=seq.dat \
sites_file=deriv_hyss_consensus_model.pdb
</pre>This will carry out the usual structure solution process, but will read sites from deriv_hyss_consensus_model.pdb, try both hands, and carry on from there. If you know the hand of the substructure, you can fix it with <b>have_hand=True</b>.</span></div><div><font class="Apple-style-span" face="verdana"><span class="Apple-style-span" style="-webkit-border-horizontal-spacing: 2px; -webkit-border-vertical-spacing: 2px;"><b><br></b></span></font></div><div><br></div><div><font class="Apple-style-span" face="verdana"><span class="Apple-style-span" style="-webkit-border-horizontal-spacing: 2px; -webkit-border-vertical-spacing: 2px;">Would there be a PDS friendly way to do this (not necessary though) ? i.e. phenix.autobuild after_autosol</span></font></div><div><div> <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>---------------------------------------------<br>Francis Reyes M.Sc.<br>215 UCB<br>University of Colorado at Boulder<br><br>gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D<br><br>8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D</div></div></span> </div><br></div></body></html>