It is available at no cost for Windows, Linux and Mac-OS X and as source code. ShelXle is completely compatible with all features of SHELXL and is written entirely in C++ using the Qt4 and FFTW libraries. 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. res (output) files with an interactive graphical display for visualization of a three-dimensional structure including the electron density ( F o) and difference density ( F o- F c) maps.
It combines an editor with syntax highlighting for the SHELXL-associated. ShelXle is a graphical user interface for SHELXL, currently the most widely used program for small-molecule structure refinement. ShelXle: a Qt graphical user interface for SHELXL Please cite this open access article if you find this program useful:Ĭ. :)Īlternatively, if you are not registered, type in the following 3 letters or numbers: (All lower case!) Please register here if you don't want to solve captchas every time or don't want to be anonymous. Note: If you are registered to SHELX you are NOT registered to this site automatcally. Please type in your e-mail address and the password:
