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<p class="MsoNormal">Hello all,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I’m pretty sure this has been done before, so before re-inventing the wheel or failing miserably and doing everything by hand, I thought I’d ask here first
<span style="font-family:Wingdings">J</span><o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I have a protein that has been crystallized with about a dozen ligands of different sizes. I’d like to overlap the protein residues forming the binding site. My plan was to pick the 2 largest ligands, select all protein residues within
say 7 A, and consider these to be the residues forming the binding site.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Then, I’d like to match this set of residues for all proteins to the same reference.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I suppose I could do this all manually, but I’m hoping that there is a quicker, more efficient way!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Any tips are appreciated!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Thanks and Cheers<o:p></o:p></p>
<p class="MsoNormal">Markus<o:p></o:p></p>
<p class="MsoNormal">-- <o:p></o:p></p>
<p class="MsoNormal"><b><span style="font-family:"Corbel","sans-serif";color:#17365D">Markus Heller, Ph.D.<o:p></o:p></span></b></p>
<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Corbel","sans-serif";color:#1F497D">NMR Scientist<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Corbel","sans-serif";color:#31B7C9">CDRD - The Centre for Drug Research and Development<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Corbel","sans-serif";color:#31B7C9">2405 Wesbrook Mall, Fourth Floor | Vancouver, BC V6T 1Z3 | Main: (604) 827-1147<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Corbel","sans-serif";color:#31B7C9">Direct: (604) 827-1122 | F: (604) 827-1299 | E:</span><span style="font-size:10.0pt;font-family:"Corbel","sans-serif";color:#31849B">
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