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XFPS , a program for automatic Fourier, Patterson and superposition methods
Author(s) -
Pavelčík F.
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/s0021889886088866
Subject(s) - superposition principle , fourier transform , symmetry (geometry) , unit (ring theory) , function (biology) , fourier series , crystal (programming language) , physics , algorithm , computer science , mathematical analysis , geometry , mathematics , quantum mechanics , programming language , mathematics education , evolutionary biology , biology
A program is presented that solves crystal structures completely using Patterson function, symmetry minimum function, atomic minimum superposition and advanced Fourier methods. The program works most efficiently for structures with one or several heavier atoms in the asymmetric unit.