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Please cite this open access article if you find this program useful:
C. B. Hübschle, G. M. Sheldrick and B. Dittrich
ShelXle: a Qt graphical user interface for SHELXL
J. Appl. Cryst., 44, (2011) 1281-1284.
[ doi:10.1107/S0021889811043202 ]
Abstract:
ShelXle is a graphical user interface for SHELXL [Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122], 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 Qt4 and FFTW libraries. It is available at no cost for Windows, Linux and Mac-OS X and as source code.
[Full Article - PDF]


Powerpoint Presentation on ShelXle



View the MANUAL or HELP. (work in progress)
Change Log
ShelXle was released and presented at the Software Fayre, XXII IUCr Congress in Madrid, Spain. Tuesday, 23-8-2011 14:00-14:45h.
There was a poster at the XXII IUCr Congress in Madrid 2011.