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,
Στις 2024-01-31 22:48, Nicholas Clark έγραψε:
Maria,
Apologies for the second email. I forgot that "Prepare files for
deposition" also merges the CCP4 formatted files into an MTZ. If I
recall correctly, I used "CONVERT2MTZ" in the command line to complete
the merging of the CCP4 files to
Nick,
What files do you mean when call them CCP4 formatted? Coordinates are accepted
only in mmCIF. Experimental data in mtz. What else?
Thank you.
Vaheh
From: CCP4 bulletin board On Behalf Of Nicholas Clark
Sent: Wednesday, January 31, 2024 3:49 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re:
Maria,
Apologies for the second email. I forgot that "Prepare files for
deposition" also merges the CCP4 formatted files into an MTZ. If I recall
correctly, I used "CONVERT2MTZ" in the command line to complete the merging
of the CCP4 files to generate the necessary MTZ for deposition.
Hi Maria,
I'm not sure if anyone has replied to this chain. However, I had a similar
issue when I was trying to prepare files for deposition in the past. You
can use the PDB file and upload it to https://pdb-extract.wwpdb.org/ to
generate the CIF file for deposition.
Best,
Nick Clark
On Tue,
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
