Molecular Replacement Using Genetic Algorithms
Acta Crystallographica Section D
Volume 53, Issue 3, pages 279–289, May 1997
How to Cite
Chang, G. and Lewis, M. (1997), Molecular Replacement Using Genetic Algorithms. Acta Crystallographica D, 53: 279–289. doi: 10.1107/S0907444996014990
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A new molecular replacement (MR) strategy is introduced which features a continuous transform and a genetic algorithm (GA) for search optimization. This strategy uses a GA to simultaneously search the rotational and translational parameters of a test model while maximizing the correlation coefficient between the observed and calculated diffraction data. This has distinct advantages over conventional MR strategies which require a cross-rotation signal. An important feature of this method is its capability to simultaneously search the overall rotation/translation of the test model in the unit cell while refining the relative orientation/position of internal subdomains. This identifies molecular replacement solutions which would otherwise be completely missed using just a static model, and greatly improve the signal-to-noise contrast.