Dear Dominik,

Thank you for letting us know!

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.

Best regards,

Oleg Sobolev.

On Thu, Nov 29, 2018 at 2:17 AM Dominik Oberthuer <dominik.oberthuer@desy.de> wrote:

Dear all,

I recently found that phenix.refine in version 1.14-3260 generates
coordinate mmCIFs that the PDB deposition system can't handle.

After struggling with this for some time I used an installation of
Phenix 1.13-2998 I still have on my MacBook and used the
mmCIF/PDB-conversion tool from this version and had no more trouble with
uploading the mmCIF to the PDB.

Maybe it is worthwhile to check which changes from 1.13 to 1.14 might
have caused these issues.

Thanks!

Dominik

--
Dr. Dominik Oberthür

CFEL - Center for Free-Electron Laser Science - DESY
Coherent Imaging Division

Notkestrasse 85
22607 Hamburg
Germany

phone: +49 (0)40 8998 6394
dominik.oberthuer@cfel.de

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