This page remains available mainly as an historical document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 January 2013.

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 organometallic compounds. 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 groups. 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 information.

This webpage outlines the major components of the CSDS provided by the Chemical Datbase Service. For the latest news and related information see the "Links..." menu. Full details are available via the CCDC website. 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 CSD.

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.

Knowledge Bases

IsoStar is a knowledge base of non-bonded interactions derived from the CSD, the Brookhaven Protein Data Bank (PDB) and molecular orbital calculations. It is now available via an easy-to-use web browser graphical interface.

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

Product Descriptions

ConQuest, Mogul, IsoStar, Mercury, Vista, Rpluto, PreQuest,
Flyers, etc.
CSD System Flyer, Materials Module Flyer, Full Document Collection

Reference Manuals and Tutorials

ConQuest - CSD Primary Program for Searching and Retrieval
Mogul - CSD Knowledge-base of Molecular Geometry
IsoStar - CSD Knowledge-base of Non-Bonded Interactions
Mercury - Main CSD Molecular Display Package
Vista - Manipulate and Analyse Geometrical Parameters
Rpluto - Older Display Package but with some useful Analysis Features
PreQuest - 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 interface. 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 "Links..." menu.