<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Dear Oleg,<div class=""><br class=""></div><div class="">I had the same issue lately (mmCIF not handled by PDB deposition system using Phenix 1.14.3260).</div><div class="">Is this issue has been resolved in a recent nightly ?<br class=""><div><br class=""></div><div>Many thanks</div><div><br class=""></div><div>Xavier</div><div><br class=""><blockquote type="cite" class=""><div class="">Le 29 nov. 2018 à 20:20, Oleg Sobolev <<a href="mailto:osobolev@lbl.gov" class="">osobolev@lbl.gov</a>> a écrit :</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Dear Dominik,<div class=""><br class=""></div><div class="">Thank you for letting us know!</div><div class=""><br class=""></div><div class="">Would it be possible to send me (off-list) the 1.13 and 1.14 cif files for investigation along with the pdb file used for conversion. Also PDB deposition message would be helpful (if available). All files will be kept confidential.</div><div class=""><br class=""></div><div class="">Best regards,</div><div class="">Oleg Sobolev.</div></div><br class=""><div class="gmail_quote"><div dir="ltr" class="">On Thu, Nov 29, 2018 at 2:17 AM Dominik Oberthuer <<a href="mailto:dominik.oberthuer@desy.de" class="">dominik.oberthuer@desy.de</a>> wrote:<br class=""></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear all,<br class="">
<br class="">
I recently found that phenix.refine in version 1.14-3260 generates <br class="">
coordinate mmCIFs that the PDB deposition system can't handle.<br class="">
<br class="">
After struggling with this for some time I used an installation of <br class="">
Phenix 1.13-2998 I still have on my MacBook and used the <br class="">
mmCIF/PDB-conversion tool from this version and had no more trouble with <br class="">
uploading the mmCIF to the PDB.<br class="">
<br class="">
Maybe it is worthwhile to check which changes from 1.13 to 1.14 might <br class="">
have caused these issues.<br class="">
<br class="">
Thanks!<br class="">
<br class="">
Dominik<br class="">
<br class="">
-- <br class="">
Dr. Dominik Oberthür<br class="">
<br class="">
CFEL - Center for Free-Electron Laser Science - DESY<br class="">
Coherent Imaging Division<br class="">
<br class="">
Notkestrasse 85<br class="">
22607 Hamburg<br class="">
Germany<br class="">
<br class="">
phone: +49 (0)40 8998 6394<br class="">
<a href="mailto:dominik.oberthuer@cfel.de" target="_blank" class="">dominik.oberthuer@cfel.de</a><br class="">
<br class="">
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