Molecular Replacement With MOLREP

Acta Crystallogr D Biol Crystallogr. 2010 Jan;66(Pt 1):22-5. doi: 10.1107/S0907444909042589. Epub 2009 Dec 21.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallization
  • Crystallography, X-Ray / methods*
  • Electronic Data Processing
  • Models, Chemical
  • Molecular Conformation
  • Search Engine
  • Software*