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Crystallography Open Database (COD)

  • Saulius Gražulis
  • Andrius Merkys
  • Antanas Vaitkus
Living reference work entry

Abstract

The Crystallography Open Database (COD, http://crystallography.net/) is as of the time of writing the largest open-access collection of mineral, metal organic, organometallic, and small organic crystal structures, excluding biomolecules that are stored separately in the Protein Data Bank (http://wwpdb.org/). Unlike other existing chemical crystal structure databases, the COD is fully open – all its structures may be downloaded, used and re-disseminated without restriction, along with the results derived from them. Currently, the COD contains >385, 000 records and is growing constantly, encompassing most structures published in peer-reviewed academic press and donations by individual researchers. This article describes how data are organized in the COD and how the database can be queried, downloaded, and processed for various purposes.

Notes

Acknowledgements

This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 689868.

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Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  • Saulius Gražulis
    • 1
  • Andrius Merkys
    • 1
  • Antanas Vaitkus
    • 1
  1. 1.Department of Protein-DNA InteractionsVilnius University Institute of BiotechnologyVilniusLithuania

Section editors and affiliations

  • Nicola Marzari
    • 1
  1. 1.Laboratory of theory and simulation of materialsSwiss Federal Institute of TechnologyLausanneSwitzerland

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