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