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

SEARCH

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