[Cod-bugs] Simulated structure in COD ?

[Saulius Gražulis]

On 2025-03-18 11:28, Andrius Merkys wrote:
> Interestingly, the paper seems to describe both single-crystal X-ray 
> diffraction structure solutions and the in-silico derived structures. 
> Entries 1570205-1570207 seem to correspond to X-ray structures while 
> the remaining must be theoretical. I will mark them as such in the COD.

Thanks, Andrius, for taking care of this!

Indeed, some structures from this paper have large cells and we need to 
be careful to not mark experimental structures as theoretical.

-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
mobile: (+370-684)-49802, (+370-614)-36366


-- 
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.