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Acta Crystallogr D Biol Crystallogr. 2001 Oct;57(Pt 10):1451-6. Epub 2001 Sep 21.

Spherically averaged phased translation function and its application to the search for molecules and fragments in electron-density maps.

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Department of Chemistry, University of York, Heslington, York YO1 5DD, England.


The molecular-replacement method has been extended to locate molecules and their fragments in an electron-density map. The approach is based on a new spherically averaged phased translation function. The position of the centre of mass of a search model is found prior to determination of its orientation. The orientation is subsequently found by a phased rotation function. The technique also allows superposition of distantly related macromolecules. The method has been implemented in a computer program MOLREP and successfully tested using experimental data sets.

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