Open Crystallographic Databases: COD, TCOD, and the sisters.

28^th September 2023, 14:00
Saulius Gražulis
Vilnus University Institute of Biotechnology, Lithuania

Abstract

Crystallographic data are of great value for modern science. Indeed, any observed properties of the matter must be compatible with atomic positions determined by crystallography. With the advent of the Internet, unobstructed access to data has become a must, and open databases are being created in all branches of science. Crystallography Open Database (COD, https://crystallography.net) is currently the world's largest open-access database of experimental chemical crystallography results. Its sister databases Theoretical COD (TCOD) and Predicted COD (PCOD) publish results of corresponding theoretical computations in a compatible form. In my talk, I would like to present the scope, organisation principles, and possible application areas of these databases.