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Recent developments in classical density modification
Author(s) -
Cowtan Kevin
Publication year - 2010
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
ISSN - 1399-0047
DOI - 10.1107/s090744490903947x
Subject(s) - focus (optics) , computer science , software , statistical physics , density estimation , phase (matter) , algorithm , mathematics , statistics , physics , optics , quantum mechanics , estimator , programming language
Classical density‐modification techniques (as opposed to statistical approaches) offer a computationally cheap method for improving phase estimates in order to provide a good electron‐density map for model building. The rise of statistical methods has lead to a shift in focus away from the classical approaches; as a result, some recent developments have not made their way into classical density‐modification software. This paper describes the application of some recent techniques, including most importantly the use of prior phase information in the likelihood estimation of phase errors within a classical density‐modification framework. The resulting software gives significantly better results than comparable classical methods, while remaining nearly two orders of magnitude faster than statistical methods.

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