Library: Chemistry Software: Cambridge Structural Database

What is Cambridge Structural Database?

The Cambridge Structural Database (CSD) contains over 1,000,000 small-molecule organic and metal-organic crystal structures. It is provided by the Cambridge Crystallographic Data Centre (CCDC).

It can be searched using a web interface:

WebCSD This link opens in a new window
Web access to Cambridge Structural Database, with access to over 900,000 organic and organometallic crystal structures.

Included in our subscription is a range of software which can be used to manipulate CSD data:

Conquest
Allows more advanced searching of CSD data
Mercury
Mercury provides tools for visualising 3D structures
IsoStar
Information on intermolecular interactions from CSD and Protein Data Bank.
Mogul
Has information on preferred molecular geometries
Python API
Allows you to create your own programs to interrogate the CSD data.
Gold
A tool for virtual screening, lead optimisation and making binding mode predictions.

CSD at the University of Bath

The University of Bath has a site licence to the Cambridge Structural Database, provided by the Library. Contact library-science@lists.bath.ac.uk for further details.

From the 'Start' menu choose 'CCDC' (Cambridge Crystallographic Data Centre)

CCDC software can be requested from Computing Services using this form:

Request software

Download CCDC software to your computer

The University of Bath Library has purchased a site licence which allows you to download the software to your own computer.

https://www.bath.ac.uk/services/secure-downloads/

Select 'available downloads' and choose CCDC.