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    <p>watch also the video tutorial under
<a class="moz-txt-link-freetext" href="https://www.phenix-online.org/documentation/reference/atom_selections.html">https://www.phenix-online.org/documentation/reference/atom_selections.html</a></p>
    <p>around min 3.</p>
    <p>Best, Georg.<br>
    </p>
    <br>
    <div class="moz-cite-prefix">Am 28.03.2018 um 12:02 schrieb Pearce,
      N.M. (Nick):<br>
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      That’s the difference between human logic and computer (Boolean)
      logic. 
      <div><br>
      </div>
      <div>“And” in the way you used it only selects atoms that are in
        BOTH residue 111 AND residue 222 (which is impossible as an atom
        can only be part of one residue). “Or” selects atoms that are in
        one OR the other. </div>
      <div><br>
        <div id="AppleMailSignature">Thanks,
          <div>Nick</div>
        </div>
        <div><br>
          On 28 Mar 2018, at 09:59, Schulz, Eike-Christian &lt;<a
            href="mailto:eike.schulz@mpsd.mpg.de" moz-do-not-send="true">eike.schulz@mpsd.mpg.de</a>&gt;
          wrote:<br>
          <br>
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              <p class="MsoNormal"><span style="font-size:11.0pt">Dear
                  Nick, <o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt">Thank
                  you very much for your quick reply. Indeed,  “or”
                  worked very nicely!
                  <o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span
                  style="font-size:11.0pt;font-family:&quot;Courier
                  New&quot;">phenix.polder model.pdb sf.mtz
                  selection="resseq 111 or resseq  222"
                  <o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt">However,
                  it escapes my understanding why
                  <o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span
                  style="font-size:11.0pt;font-family:&quot;Courier
                  New&quot;">phenix.polder model.pdb sf.mtz
                  selection="resseq 111 and resseq  222</span><span
                  style="font-size:11.0pt">"
                  <o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt">does
                  not work equally well. <o:p>
                  </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt">Nevertheless,
                  “or” does the trick!
                  <o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt">Many
                  thanks, <o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt">Eike<o:p></o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
              <p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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                1.0pt;padding:3.0pt 0cm 0cm 0cm">
                <p class="MsoNormal" style="margin-left:36.0pt"><b><span
                      style="color:black">From:
                    </span></b><span style="color:black">"Pearce, N.M.
                    (Nick)" &lt;<a href="mailto:n.m.pearce@uu.nl"
                      moz-do-not-send="true">n.m.pearce@uu.nl</a>&gt;<br>
                    <b>Date: </b>Wednesday, 28. March 2018 at 09:49<br>
                    <b>To: </b>"Schulz, Eike-Christian" &lt;<a
                      href="mailto:eike.schulz@mpsd.mpg.de"
                      moz-do-not-send="true">eike.schulz@mpsd.mpg.de</a>&gt;<br>
                    <b>Cc: </b>"<a
                      href="mailto:phenixbb@phenix-online.org"
                      moz-do-not-send="true">phenixbb@phenix-online.org</a>"
                    &lt;<a href="mailto:phenixbb@phenix-online.org"
                      moz-do-not-send="true">phenixbb@phenix-online.org</a>&gt;<br>
                    <b>Subject: </b>Re: [phenixbb] non-consecutive
                    residue selection in phenix.polder</span><span
                    style="color:black;mso-fareast-language:EN-GB"><o:p></o:p></span></p>
              </div>
              <div>
                <p class="MsoNormal" style="margin-left:36.0pt"><span
                    style="font-family:&quot;Times New Roman&quot;"><o:p> </o:p></span></p>
              </div>
              <p class="MsoNormal" style="margin-left:36.0pt">Hi, <o:p></o:p></p>
              <div>
                <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p>
              </div>
              <div>
                <p class="MsoNormal" style="margin-left:36.0pt">Assuming
                  it uses the standard phenix syntax you should be able
                  to string together a series of residue selections
                  connected by “or”. <o:p></o:p></p>
              </div>
              <div>
                <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p>
              </div>
              <div>
                <p class="MsoNormal" style="margin-left:36.0pt">See: <a
href="https://www.phenix-online.org/documentation/reference/atom_selections.html"
                    moz-do-not-send="true">https://www.phenix-online.org/documentation/reference/atom_selections.html</a><o:p></o:p></p>
              </div>
              <div>
                <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p>
              </div>
              <div>
                <p class="MsoNormal"
style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:12.0pt;margin-left:36.0pt">It
                  should also be noted that any type of OMIT map will
                  only show “unambiguous” density for full occupancy
                  ligands. If your ligands are partial occupancy (which
                  you generally can’t determine a priori), be aware that
                  you’ll be looking at a superposition of ligand density
                  and the other (unknown) state of the crystal. <o:p></o:p></p>
                <div id="AppleMailSignature">
                  <p class="MsoNormal" style="margin-left:36.0pt">Thanks,
                    <o:p></o:p></p>
                  <div>
                    <p class="MsoNormal" style="margin-left:36.0pt">Nick<o:p></o:p></p>
                  </div>
                </div>
                <div>
                  <p class="MsoNormal"
style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:12.0pt;margin-left:36.0pt"><br>
                    On 28 Mar 2018, at 09:42, Schulz, Eike-Christian
                    &lt;<a href="mailto:eike.schulz@mpsd.mpg.de"
                      moz-do-not-send="true">eike.schulz@mpsd.mpg.de</a>&gt;
                    wrote:<o:p></o:p></p>
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                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt">Dear all,
                      </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt">To generate unambiguous
                        ligand density in a number of structures we
                        would like to omit the surrounding active site
                        residues in the polder-map calculation. However,
                        so far we were unable to figure out how <i>non-consecutive</i>
                        residues can be selected for phenix.polder.
                      </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"><a
href="https://www.phenix-online.org/documentation/reference/atom_selections.html"
                          moz-do-not-send="true">https://www.phenix-online.org/documentation/reference/atom_selections.html</a>
                      </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt">The documentation only
                        explains how to select ranges of residues but
                        not how to select say 5 individual residues.
                      </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt">Is there a syntax to
                        achieve this ?</span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt">Thanks for your advice,
                      </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt">Eike</span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-size:11.0pt"> </span><o:p></o:p></p>
                  </div>
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                    <p class="MsoNormal" style="margin-left:36.0pt"><span
                        style="font-family:&quot;Times New
                        Roman&quot;;mso-fareast-language:EN-GB">_______________________________________________<br>
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