[Cod-bugs] Filtering structures with/without disorder

Fx COUDERT fx.coudert at chimieparistech.psl.eu
Mon Nov 4 16:52:21 EET 2024


Hi,

> Yes, disorder flag is stored in the COD's SQL database. It is probably easiest to access it via queries to COD's SQL database [1][2]. Disordered entries are marked with string "has disorder" in 'flags' column of 'data' SQL table. REST API [3] and COD's OPTIMADE implementation does not expose this flag yet.

Thanks. Is there a simple, complete example on how to query the COD server through SQL? The page you linked to says "The more sophisticated queries however may need direct access to the COD SQL server”. I can see how to create a local copy of your SQL database at https://wiki.crystallography.net/creatingSQLdatabase/ but I do not see how to connect directly to your server?

Best,

-- 
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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