The CCDC provide a range of software products and services. The software and database tools detailed below cover a wide range of scientific applications - from knowledge driven conformer generation to the search and analysis of protein-ligand complexes. Time-limited evaluation licences are available for those interested in purchase.


Protein-ligand docking.


Discovery-oriented data mining of protein and small molecule crystal structures


Knowledge-based pharmacophore prediction

Mercury Menu for CSD-Discovery

Knowledge-based geometry and interaction preferences

CSD Python API

Use the CSD System programmatically


CSD-Discovery also includes all of the components of CSD-Core