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;