Chapter 13.5 Molecular replacement with MOLREP
Crystallography of biological macromolecules
Second Online Edition (2012)
Part 13. Molecular replacement
Published Online: 14 APR 2012
© International Union of Crystallography 2006
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.
- Published Online: 14 APR 2012
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.
- molecular replacement;
- rotation function;
- translation function;