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ShelXle is a graphical user interface for SHELXL, currently the most widely used
program for small-molecule structure refinement. It combines an editor with
syntax highlighting for the SHELXL-associated .ins (input) and .res (output)
files with an interactive graphical display for visualization of a
three-dimensional structure including the electron density (Fo) and difference
density (Fo-Fc) maps. Special features of ShelXle include intuitive atom
(re-)naming, a strongly coupled editor, structure visualization in various mono
and stereo modes, and a novel way of displaying disorder extending over special
positions. ShelXle is completely compatible with all features of SHELXL and is
written entirely in C++ using the Qt and FFTW libraries. It is available at no
cost for Windows, Linux and Mac-OS X and as source code.
WWW: https://www.shelxle.org/shelx/eingabe.php
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