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<p class="MsoNormal">Hi folks,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">It has been a while since we have done much with phenix. We are refining a structure with a known ligand, voriconazole (exists on the pdb). We get an error regarding a lack of .cif file/restraints.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Do we normally need to specify a cif file given this is a known ligand and can be retrieved in Coot?<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I assume that phenix would call on a known library of ligands/monomers that are known. Is this the correct library?<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span style="font-size:12.0pt;color:black">phenix-installer-1.17.1-3660-intel-windows-x86_64\modules\chem_data\chemical_components\<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;color:black">Many thanks<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;color:black"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;color:black">Joel</span><o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#365F91;mso-fareast-language:EN-NZ">Joel Tyndall |</span><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#0070C0;mso-fareast-language:EN-NZ">
</span><span style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#555555;mso-fareast-language:EN-NZ">BSc(Hons) PhD</span><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;mso-fareast-language:EN-NZ"><br>
<span style="color:#0070C0"><br>
</span><span style="color:#365F91">Associate Professor in Medicinal Chemistry<br>
School of Pharmacy |</span><span style="color:#0070C0"> </span><span style="color:#595959">He Rau Kawakawa</span><span style="color:#0070C0"><br>
</span><span style="color:#365F91">University of Otago |</span><span style="color:#0070C0">
</span></span><span style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#555555;mso-fareast-language:EN-NZ">Te Whare W</span><span style="font-size:9.0pt;color:#555555;mso-fareast-language:EN-NZ">�</span><span style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#555555;mso-fareast-language:EN-NZ">nanga
o Ot</span><span style="font-size:9.0pt;color:#555555;mso-fareast-language:EN-NZ">�</span><span style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#555555;mso-fareast-language:EN-NZ">go<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#365F91;mso-fareast-language:EN-NZ">PO Box 56 9054<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#365F91;mso-fareast-language:EN-NZ">Dunedin |</span><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#0070C0;mso-fareast-language:EN-NZ">
</span><span style="font-size:9.0pt;color:#555555;mso-fareast-language:EN-NZ">�</span><span style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#555555;mso-fareast-language:EN-NZ">tepoti</span><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#0070C0;mso-fareast-language:EN-NZ"><o:p></o:p></span></p>
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Aotearoa</span><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#0070C0;mso-fareast-language:EN-NZ">
</span><span style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#0070C0;mso-fareast-language:EN-NZ"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#365F91;mso-fareast-language:EN-NZ">Ph: 64 3 479 7293<br>
Skype: jtyndall<o:p></o:p></span></p>
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<a href="pharmacy.otago.ac.nz"><span style="color:#0563C1">pharmacy.otago.ac.nz</span></a></span><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#0070C0;mso-fareast-language:EN-NZ"> </span><span lang="EN-US" style="font-size:9.0pt;font-family:"Gill Sans MT",sans-serif;color:#365F91;mso-fareast-language:EN-NZ"><o:p></o:p></span></p>
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