Jump to ContentJump to Main Navigation
Macromolecular Crystallographyconventional and high-throughput methods$
Users without a subscription are not able to see the full content.

Mark R. Sanderson and Jane V. Skelly

Print publication date: 2007

Print ISBN-13: 9780198520979

Published to Oxford Scholarship Online: September 2007

DOI: 10.1093/acprof:oso/9780198520979.001.0001

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: 15 November 2019

Electron density fitting and structure validation

Electron density fitting and structure validation

(p.191) CHAPTER 13 Electron density fitting and structure validation
Macromolecular Crystallography

Mike Carson

Oxford University Press

The Human Genome Project went three-dimensional in late 2000. ‘Structural genomics’ efforts will determine the structures of thousands of new proteins over the few years. These initiatives seek to streamline and automate every experimental and computational aspect of the structural determination pipeline, with most of the steps involved covered in previous chapters of this volume. At the end of the pipeline, an atomic model is built and iteratively refined to best fit the observed data. The final atomic model, after careful analysis, is deposited in the Protein Data Bank (PDB). About 25,000 unique protein sequences are currently in the PDB. High-throughput and conventional methods will dramatically increase this number and it is crucial that these new structures be of the highest quality. This chapter addresses software systems to interactively fit molecular models to electron density maps and to analyse the resulting models. It is heavily biased toward proteins, but the programs can also build nucleic acid models. The chapter begins with a brief review of molecular modelling and graphics. It then discusses the best current and freely available programs with respect to their performance on common tasks. Finally, some views on the future of such software are given.

Keywords:   Human Genome Project, protein sequences, molecular models, electron density maps, software systems

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 .