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<p class="MsoNormal"><span lang="EN-US">Dear fellow BUSTER users and developers,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">After running my pdb-files in BUSTER I cannot use “R” for sphere refinement anymore in COOT?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">In PDB files that never seen BUSTER, sphere refinement in COOT work fine – see PDF attached<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">I noticed <o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">- BUSTER writes the order of atoms of each residue differently as compared to my “original” PDB file used for refmac<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">- SSBOND looks different in refmac compared to BUSTER, but changing the BUSTER PDB with SSBOND lines as written in refmac does not matter to COOT that still fail sphere refinement next to disuphides.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Neither BUSTER PDB nor refmac PDB contain LINK/LINKR records.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Thanks for outstanding BUSTER software!<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Cheers<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Martin<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:10.0pt;mso-fareast-language:SV"><a href="https://ki.se/en/mbb/psf-mx"><span style="color:#0563C1">Head of Macromolecular X-ray Crystallography</span></a> |
<a href="https://ki.se/en/mbb/protein-science-facility"><span style="color:#0563C1">Protein Science Facility</span></a><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:10.0pt;mso-fareast-language:SV"><a href="https://ki.se/en/mbb/department-of-medical-biochemistry-and-biophysics"><span style="color:#0563C1">Medical Biochemistry and Biophysics</span></a>
<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:10.0pt;mso-fareast-language:SV">171 65 Solna | Solnavägen 9<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:10.0pt;mso-fareast-language:SV">+46 8 524 868 43 | +46 73 322 93 27<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:10.0pt;mso-fareast-language:SV"><a href="mailto:martin.moche@ki.se"><span style="color:#0563C1">martin.moche@ki.se</span></a> |
<a href="https://ki.se/"><span style="color:#0563C1">ki.se</span></a><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:10.0pt;mso-fareast-language:SV">______________________________________</span><span style="font-size:10.0pt;mso-fareast-language:SV"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:10.0pt;mso-fareast-language:SV">Karolinska Institutet – a medical university<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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