Jump to ContentJump to Main Navigation
Crystal Structure AnalysisPrinciples and Practice$
Users without a subscription are not able to see the full content.

William Clegg, Alexander J Blake, Jacqueline M Cole, John S O Evans, Peter Main, Simon Parsons, and David J Watkin

Print publication date: 2009

Print ISBN-13: 9780199219469

Published to Oxford Scholarship Online: September 2009

DOI: 10.1093/acprof:oso/9780199219469.001.0001

Show Summary Details
Page of

PRINTED FROM OXFORD SCHOLARSHIP ONLINE (www.oxfordscholarship.com). (c) Copyright Oxford University Press, 2019. All Rights Reserved. An individual user may print out a PDF of a single chapter of a monograph in OSO for personal use. date: 24 August 2019

Crystallographic databases

Crystallographic databases

(p.327) 21 Crystallographic databases
Crystal Structure Analysis

Jacqueline Cole

Oxford University Press

This chapter discusses the concept of a database and its specific application to crystallography. Crystallographic databases generally contain bibliographic and experimental information, which in most cases includes the positions of atoms in the crystal structure together with other data allowing the structure to be represented graphically, analysed geometrically, and manipulated. Computer searches may be carried out based on any of the information stored, if the associated software provides the relevant functionality; these may include matching particular structural fragments based on chemical connectivity, as well as individual experimental and data items. Results may then be subjected to detailed statistical analysis or other treatment. Some possible uses are described. The crystallographic databases available are the Cambridge Structural Database, the Inorganic Crystal Structure Database, CrystMet for metals and related materials, and the Protein Data Bank and associated nucleobase database.

Keywords:   database, search, structural fragment, statistics, bibliography, analysis

Oxford Scholarship Online requires a subscription or purchase to access the full text of books within the service. Public users can however freely search the site and view the abstracts and keywords for each book and chapter.

Please, subscribe or login to access full text content.

If you think you should have access to this title, please contact your librarian.

To troubleshoot, please check our FAQs , and if you can't find the answer there, please contact us .