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Pepinsky's Machine : an interactive graphics‐based Fourier synthesis program with applications in teaching and research
Author(s) -
Glykos Nicholas M.
Publication year - 1999
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/s002188989900446x
Subject(s) - plane (geometry) , reciprocal lattice , amplitude , computer science , graphics , fourier transform , reciprocal , set (abstract data type) , lattice (music) , electron density , computer graphics , function (biology) , lattice plane , computer graphics (images) , crystallography , electron , physics , optics , geometry , mathematics , chemistry , programming language , diffraction , linguistics , philosophy , quantum mechanics , evolutionary biology , acoustics , biology
A computer program has been developed which, given a set of structure‐factor amplitudes for any centrosymmetric plane group, displays the amplitude‐weighted reciprocal‐lattice plane and allows the user interactively to assign and modify the phases of the structure factors, while observing the effect of these changes on the corresponding electron density function. The program has the added feature of being able to calculate and interactively display the electron density maps corresponding to all phase combinations of a user‐defined subset of structure factors. Applications of the program in both crystallographic teaching and research are discussed.