- >109,000,000 molecules in the
world's disclosed chemistry
- 1965 - 2016: The Cambridge structural database (CSD)
- >824,570+ curated crystal structure entries
- Queried using Conquest, Python API
- Statistical analysis using Mercury; display using Mercury, JSmol for
coordinates
- License: commercial for full database
- License: 733 structures + Mercury as "teaching set" at no cost.
- 2003 - 2016: The Crystallography Open Database (COD)
- >358,868 crystal structures.
- Queried using SQL queries of a COD SQL server.
- Statistical analysis using "R"; display using JSmol for
coordinates
- License: open
- A comprehensive survey of all sources of crystal data can be seen at doi: bcms
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