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 generat
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: [ccp
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.
Instructions
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, Ja
Hi Deborah - sounds great, well done!
Are you yet harvesting and serving up the restraints used in
refinement? If not, that remains a huge gap, in my view. (The chemists
tend not to be aware that's even a thing, I keep discovering.)
Frank
On 31/01/2024 13:57, Deborah Harrus wrote:
*Dear
**
*Dear all,*
*We're excited to announce significant improvements to ligand data
access and organisation within the PDBe FTP area. These updates aim to
empower your research by simplifying data retrieval and providing deeper
insights into protein-ligand interactions.*
*Key Enhancements:*
