Software news: Cambridge structural database (CSD) 2020 release available

Graphic of chemical structures

Established in 1965 by the Cambridge Crystallographic Data Centre (CCDC), the Cambridge Structural Database (CSD) is the world’s repository for small-molecule organic and metal-organic crystal structures.

We have a campus-wide site license for CSD Enterprise which includes ALL CSD software and ALL application data.  Access to CSD software is limited to current students, faculty, and staff at Stanford. You must have the activation key and the license customer ID before you are able to download the software.  To request an activation key, please see:

What’s new?

CCDC announces 2020.0 CSD Release: As well as reaching a million structures in the Cambridge Structural Database or CSD, the Cambridge Crystallographic Data Centre (CCDC) has improved what and how they deliver data and software to the structural science community.  This latest release includes a number of new features including:

  • Quick and easy hydrogen-bond analysis with new H-bond Quick-View
  • The optimization of GOLD for use in ultra-large docking projects
  • Incorporation of Python 3 by default in the CSD Python API
  • Implementation of opt-in product telemetry
  • A new licensing system

In addition, this release takes the CSD to 1,016,168 unique structures (1,034,174 entries).

Use WebCSD to search CSD and ICSD simultaneously

It is possible to search the web version of the Cambridge Structural Database and the Inorganic Crystal Structure Database at one time using the WebCSD interface.  CSD content in WebCSD is updated weekly.