Spherically averaged phased translation function and its application to the search for molecules and fragments in electron-density maps
Open Access
- 21 September 2001
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section D-Biological Crystallography
- Vol. 57 (10) , 1451-1456
- https://doi.org/10.1107/s0907444901012409
Abstract
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.Keywords
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