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The determination of molecular orientation: an efficient reciprocal‐space algorithm for the small computer
Author(s) -
Langs D. A.
Publication year - 1986
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s002188988608980x
Subject(s) - bessel function , reciprocal , reciprocal lattice , algorithm , rotation (mathematics) , orientation (vector space) , fourier series , function (biology) , fourier transform , series (stratigraphy) , space (punctuation) , computer science , mathematics , optics , physics , mathematical analysis , geometry , diffraction , artificial intelligence , geology , paleontology , philosophy , linguistics , evolutionary biology , biology , operating system
A rotation function is formulated in terms of a Fourier–Bessel‐series expansion of the Patterson coefficients of the search model. The function provides an efficient algorithm for performing rotational analyses of small molecules on computers with limited memory and storage requirements.