This page remains available mainly as an historical document
Most or all of the features are no longer available via the CDS/DL
website since provision of the EPSRC UK national Chemical Database
Service has been taken over by the Royal Society of Chemistry from 1st
Some related features may be available via the RSC/CSD portal.
For details of what is currently available on the CDS/DL website and
also links to the RSC/CDS portal follow the link to the CDS/DL Homepage.
The information below was produced before January 2013 and may be
incorrect at the present time.
Cambridge Structural Database System
The Cambridge Structural Database (CSD) is a world leading
comprehensive collection of small-molecule organic and organometallic
crystal structures. All of these crystal structures have been analysed
using X-ray or neutron diffraction techniques.
The CSD contains crystal structures for over 600,000 organic and
The Cambridge Structural Database System (CSDS) includes a wide range
of associated software package.
For the lastest details of the database and software use the Links
Menu below this header.
Cambridge System Overview
The CSDS is used world-wide by both academic and industrial research
It is supported and maintained by Cambridge Crystallographic Data
Centre (CCDC) staff in Cambridge, and software packages have been
developed for search, retrieval, display and analysis of CSD database
This webpage outlines the major components of the CSDS provided by the
Chemical Datbase Service.
For the latest news and related information see the
Full details are available via the CCDC
This page also includes a summary with
links to key CCDC webpages likely to be of use to CDS users.
Main components for CDS users
Search, display and analysis of Database
The ConQuest software has been developed for the search,
retrieval, display and analysis of CSD information.
Mercury offers comprehensive facilities for visualising crystal
structures in three dimensions and the exploration of crystal packing.
Traditionally Cambridge have provided the VISTA package provide
a wide range of functionality which allows the user to manipulate and
analyse the geometrical parameters saved from a ConQuest search of the
VISTA functionally is now available within the Mercury component, and
this will be the focus for future developments. All components are
currently made available to CDS users via X-Windows interfaces, but
the component packages are becoming more closely integrated.
IsoStar is a knowledge base of non-bonded interactions derived
from the CSD, the Brookhaven Protein Data Bank (PDB) and molecular
It is now available via an easy-to-use web browser graphical
Mogul is a knowledge base of
Molecular Geometry using data derived from the CSD.
Mogul is currently only available via an X-Windows interface.
Links to useful pages on the Cambridge Website
CSD System Flyer
Materials Module Flyer
Full Document Collection
Reference Manuals and Tutorials
- CSD Primary Program for Searching and Retrieval
- CSD Knowledge-base of Molecular Geometry
- CSD Knowledge-base of Non-Bonded Interactions
- Main CSD Molecular Display Package
- Manipulate and Analyse Geometrical Parameters
- Older Display Package but with some useful Analysis Features
- Allows creation of Data Files in a format searchable by ConQuest
Alternative access to the Cambridge data for CDS users
The CDS currently also makes the Cambridge Structural Database
available via the CrystalWorks web
This system has been developed inhouse and allows searching over
the entire range of CDS supported crystallographic databases
(currently incl. CSD, ICSD, CrystMet, Crystallography Open Database,
and the Crystal Data Identification File).
Both packages allow bibliographic (author, journal etc.), formula and
cell data searching. Structures can be displayed and the reference is
automatically linked to electronic literature giving single click
access to online journals.
CrystalWorks is under active development with new features being added.
For further information see the