Published in

International Union of Crystallography, Acta Crystallographica Section D: Biological Crystallography, 4(68), p. 328-335, 2012

DOI: 10.1107/s0907444911039655

Links

Tools

Export citation

Search in Google Scholar

Completion of autobuilt protein models using a database of protein fragments

Journal article published in 2012 by Kevin Cowtan ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

Full text: Download

Green circle
Preprint: archiving allowed
Green circle
Postprint: archiving allowed
Green circle
Published version: archiving allowed
Data provided by SHERPA/RoMEO

Abstract

Two developments in the process of automated protein model building in the Buccaneer software are presented. A general-purpose library for protein fragments of arbitrary size is described, with a highly optimized search method allowing the use of a larger database than in previous work. The problem of assembling an autobuilt model into complete chains is discussed. This involves the assembly of disconnected chain fragments into complete molecules and the use of the database of protein fragments in improving the model completeness. Assembly of fragments into molecules is a standard step in existing model-building software, but the methods have not received detailed discussion in the literature.