ShelXle: a Qt graphical user interface for SHELXL

               ShelXle: a Qt graphical user interface for SHELXL
  author={Christian Bertram H{\"u}bschle and George M. Sheldrick and Birger Dittrich},
  booktitle={Journal of applied crystallography},
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 (F(o)) and difference density (F(o)-F(c)) maps. Special features of ShelXle include… CONTINUE READING


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