[Cod-bugs] Filtering structures with/without disorder

Fx COUDERT fx.coudert at chimieparistech.psl.eu
Fri Nov 15 11:29:54 EET 2024


Hi Andrius,

Thanks for your responses, and sorry for asking more. If there is a public forum or discussion board for COD, please let me know, I will ask there.

I have looked at the https://github.com/cod-developers/cod-tools repository with COD-related tools. I see that there are some scripts that classify structures, but I have been unable to use them myself. I would like to sort structures between organic, inorganic, and hybrid. If you had any help / guidance on how to achieve this, I would be really appreciative.

Best regards,

-- 
Dr. François-Xavier Coudert
Senior Researcher / Directeur de Recherche CNRS at Chimie ParisTech
Professeur attaché ENS / PSL University
Webpage: https://www.coudert.name/


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