<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Is anyone having issues executing ensemble refinement in Phenix? I've tried several times now to run things and it always crashes without returning any maps and just returning a set of large PDB files such as: "TEAS-W273E-FPP-A_ensemble_0.6.pdb, TEAS-W273E-FPP-A_ensemble_0.8.pdb, TEAS-W273E-FPP-A_ensemble_0.9.pdb and TEAS-W273E-FPP-A_ensemble_0.1.pdb". The log file always ends with: <div><br></div><div>" Time building chain proxies: 3.01, per 1000 atoms: 0.35<div> Number of scatterers: 8638</div><div> At special positions: 0</div><div> Unit cell: (125.75, 125.75, 120.07, 90, 90, 90)</div><div> Space group: P 41 21 2 (No. 92)</div><div> Number of sites at special positions: 0</div><div> Number of scattering types: 7</div><div> Type Number sf(0)</div><div> S 19 16.00</div><div> P 2 15.00</div><div> Mg2+ 3 10.00</div><div> O 835 8.00</div><div> N 717 7.00</div><div> C 2765 6.00</div><div> H 4297 1.00</div><div> sf(0) = scattering factor at diffraction angle 0.</div><div><br></div><div><br></div><div><br></div><div><br></div><div>AttributeError"</div><div><br></div><div>I only entering a single chain with solvent and ions and hydrogens. All of the other parameters from the GUI are kept the same.</div><div><br></div><div>Any suggestions or comments would be much appreciated.</div><div><br></div><div>Joe</div><div apple-content-edited="true">
<span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: 'Lucida Grande'; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: 'Lucida Grande'; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">______________________________________________________________________________________<br>Joseph P. Noel, Ph.D.<br>Arthur and Julie Woodrow Chair</div><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Investigator, Howard Hughes Medical Institute<br>Professor, The Jack H. Skirball Center for Chemical Biology and Proteomics<br>The Salk Institute for Biological Studies<br>10010 North Torrey Pines Road<br>La Jolla, CA 92037 USA<br><br>Phone: (858) 453-4100 extension 1442<br>Cell: (858) 349-4700<br>Fax: (858) 597-0855<br>E-mail: <a href="mailto:noel@salk.edu">noel@salk.edu</a><br><br>Publications & Citations: <a href="http://scholar.google.com/citations?user=xiL1lscAAAAJ">http://scholar.google.com/citations?user=xiL1lscAAAAJ</a><div><br>Homepage Salk: <a href="http://www.salk.edu/faculty/noel.html">http://www.salk.edu/faculty/noel.html</a><br>Homepage HHMI: <a href="http://hhmi.org/research/investigators/noel.html">http://hhmi.org/research/investigators/noel.html</a><br>______________________________________________________________________________________</div></div></span></div></span></span>
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