Dear Maria,
Apologies for late reply. I'm not sure which version of
"adding_stats_to_mmcif" is in CCP4 at the moment, but if you're facing
the issue again in the future please could you try using the latest
version at https://github.com/wwPDB/py-adding_stats_to_mmcif ? If it
doesn't work, please feel free to send me your file and I will troubleshoot.
Kind regards,
Deborah Harrus
PDBe
On 30/01/2024 17:36, mdimarog wrote:
Dear all,
I am trying to deposit 2 structures to the PDBe, solved and refined in
CCP4 (version 7), and checked in PRIVATEER as they have a lot of
sugars in. To this end, I used "Prepare and validate files for
deposition" task, as I had previously (and succesfully) done. However,
and in spite of switching to the latest CCP4 version (8.0.017), I keep
getting this error message "adding_stats_to_mmcif_i2_gui:Error in
wrapper Failed to add 204". I am using macOS Monterey, version 12.6.5.
Does anybody have an idea what is going wrong? If not, does anybody
know a different way to submit the reflection data to the PDBe? For
example, would this be somehow possible just using the output from
Refmac and AIMLESS? I wouldn't want to repeat the
scaling/MR/refinement procedure because there are a lot of sugars
there, quite difficult to built.
Many thanks in advance for your help!
Kind regards,
Maria
--
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Deborah Harrus, Ph.D.
PDBe Archive Project Leader, Biocuration Lead
PDBe - Protein Data Bank in Europe
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD UK
http://www.PDBe.org
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