Crystallography Open Database – an open-access collection of crystal structures
By Saulius Grazulis, Daniel Chateigner, Robert T. Downs, A. Yokochi, Miguel Quirós, Luca Lutterotti, E. Manakova, J. Butkus, Peter Moeck, Armel Le Bail. 2009
1,388 citations recorded by the source corpus.
The Crystallography Open Database (COD) is an ongoing initiative by crystallographers to gather all published inorganic, metal–organic and small organic molecule structures in one database, providing a straightforward search and retrieval interface. The COD adopts an open-access model for its >80 000 structure files.
Subfields: Catalysis, Materials Chemistry
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In Materials Chemistry
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Citations in the corpus
- AceDRG: a stereochemical description generator for ligands (2017, background): “(ii) High-resolution structures from small-molecule databases, such as the CSD (Groom et al. , 2016) and the Crystallo-graphy Open Database (COD; Grazˇulis et al. , 2009), are a rich source of prior chemical information.”
- Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration (2011, methodology): “The detailed data processing pipeline was described previously (14).”
- MolProbity: More and better reference data for improved all‐atom structure validation (2018, background): “…Structural Database (CSD 26 ), H difference peaks in 1A˚ protein crystal structures from the Protein Data Bank and, most decisive of all, a combination of H atom coordinates and electron-density difference peaks in small-molecule x-ray structures from the Crystallography Open Database (COD 27 ).”
- Computational Methods for RNA Structure Validation and Improvement. (2015, background): “Target values, including their estimated standard deviations or weights, are derived from the databases of small-molecule crystal structures (Allen, 2002; Grazulis et al., 2009), or perhaps from quantum calculations, especially for unusual bound ligands (e.”
- Wigner Formulation of Thermal Transport in Solids (2021, methodology): “[205] S. Gražulis, D. Chateigner, R. T. Downs, A. F. T. Yokochi, M. Quirós, L. Lutterotti, E. Manakova, J. Butkus, P. Moeck, and A. Le Bail, Crystallography Open Database – an open-access collection of crystal structures, J. Appl.”