Chapter

Chapter 13.5 Molecular replacement with MOLREP

Crystallography of biological macromolecules

Second Online Edition (2012)

Part 13. Molecular replacement

  1. A. Vagin1,
  2. A. Teplyakov2

Published Online: 14 APR 2012

DOI: 10.1107/97809553602060000843

International Tables for Crystallography

International Tables for Crystallography

How to Cite

Vagin, A. and Teplyakov, A. 2012. Molecular replacement with MOLREP. International Tables for Crystallography. F:13:13.5:364–366.

Author Information

  1. 1

    Structural Biology Laboratory, University of York, Heslington, York YO10 5YW, England

  2. 2

    University of Maryland Biotechnology Institute, Rockville, MD 20850, USA

Publication History

  1. Published Online: 14 APR 2012

Abstract

MOLREP is an automated program for molecular replacement that utilizes a number of original approaches to rotational and translational search and data preparation. Since the first publication describing the program, MOLREP has acquired a variety of features that include weighting of the X-ray data and search models, multi-copy search, fitting the model into electron density, structural superposition of two models, and rigid-body refinement. The program can run in a fully automatic mode using optimized parameters calculated from the input data.

Keywords:

  • molecular replacement;
  • rotation function;
  • translation function;
  • software