<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><BLOCKQUOTE type="cite"></BLOCKQUOTE><DIV>Hi Ralf,</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>That is disappointing. Lovely maps produced after a few phenix.refine runs</DIV><DIV>for a 1.6 A structure revealed an unexpected tris ligand (TAM) with occupancy ~0.5.</DIV><DIV>The density suggests that when tris is not there, </DIV><DIV>a side chain moves very close to that position, thus my question.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>In other regards phenix seems a great step forward in automating refinement, and</DIV><DIV>I look forward to new developments.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>best wishes,</DIV><DIV>Cathy</DIV><DIV><BR class="khtml-block-placeholder"></DIV><BR><BLOCKQUOTE type="cite"><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" size="3"><SPAN class="Apple-style-span" style="font-size: 12px;">Hi Cathy,</SPAN></FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 12px/normal Helvetica; min-height: 14px; "><BR></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" size="3"><SPAN class="Apple-style-span" style="font-size: 12px;">> Is it possible to turn off nonbonded restraints for particular</SPAN></FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" size="3"><SPAN class="Apple-style-span" style="font-size: 12px;">> residues/monomers, or for atoms with occupancy less than 1.0?</SPAN></FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 12px/normal Helvetica; min-height: 14px; "><BR></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" size="3"><SPAN class="Apple-style-span" style="font-size: 12px;">Nope, sorry. It is on the (long) to-do list.</SPAN></FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" size="3"><SPAN class="Apple-style-span" style="font-size: 12px;">BTW: each time someone asks the priority goes up.</SPAN></FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 12px/normal Helvetica; min-height: 14px; "><BR></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" size="3"><SPAN class="Apple-style-span" style="font-size: 12px;">Ralf</SPAN></FONT></DIV></BLOCKQUOTE><BR></BODY></HTML>