At a glance

Swain Chemistry & Chemical Engineering Library

Cambridge Structural Database

Cambridge Structural Database - Annual Growth 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. Containing over 800,000 entries from x-ray and neutron diffraction analyses, this unique database of accurate 3D structures has become an essential resource to scientists around the world.

We have a campus-wide site license for:

License keys: Access to a license key for CSD software is limited to current students, faculty, and staff at Stanford.  You must have a license key before installing the software.  To get a license key, please bring your Stanford ID to the Swain Library during regular business hours and ask for Aparna Sharma or Grace Baysinger.

Use WebCSD or download software:  After accepting the conditions of use, you may download CSD to your computer (SUNet authentication required). Be sure to remove the old version of CSD before installing the new version.  Please note that CSD software must be deleted when users graduate or are no longer affiliated with Stanford.

Support and resources: 

  • FAQ Database
  • Documentation
  • CCDC Educational Resources
    • By integrating crystal structures into your course you will provide your students with the opportunity to visualise and manipulate real molecules in 3D and to work with experimentally-measured data.
  • CSD Python API Forum
  • CCDC Research
  • CCDC WebCite
    • Information derived from the CSD is vital to structural chemistry research in its broadest sense, and in particular to pharmaceutical drug discovery, materials design, drug development and formulation. More than 2,000 papers and reviews [e.g. 2-4] have been published worldwide that describe research applications using the accumulated data in the CSD.
    • More about CCDC WebCite
  • Deposit a structure
    • CellCheckCSD
      • CellCheckCSD is a freely available, automated tool for checking unit cells against the CSD during data collection.
    • EnCIFer
      • Safely check and edit crystallographic information files (CIFs) without compromising the syntax.

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