International Tables for Crystallography

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International Tables for Crystallography (2006). Vol. F, Section 13.3.6
Translation functions
L. Tong. International Tables for Crystallography (2012). Vol. F, ch. 13.3, pp. 347-351  [ doi:10.1107/97809553602060000841 ]

Abstract

Translation functions are used to determine the positions of search models by the molecular-replacement method. The functions are generally based on the comparisons of observed and calculated structure-factor amplitudes (R factor and correlation coefficient) or the comparisons of the corresponding Patterson functions. Combined molecular replacement is a limited six-dimensional search where sampling of the rotational degrees of freedom is guided by the rotation function. Evaluating the packing arrangement of the model in the crystal is an important part of the molecular-replacement calculation. The locked translation function can be used in cases where the crystal contains point-group noncrystallographic symmetry.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.