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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 ]
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
New Android app 'ShelXle.Droid' available on Google-Play
View the MANUAL or HELP. (work in progress)
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.