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ShelXle 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. See J. Appl. Cryst. (2011). 44, 1281–1284. for details.
A user-extensible Freemat based 1DGC and GCxGC data analysis software.
... by ordinary users through high-level Freemat scripting.
Freemat, one of open source Matlab clones, is chosen for this very purpose, because its syntax is most compatible with Matlab and it is lightweight - very suited for ordinary users.
Contact xguan@jnxtec.com for support.
A Library for Chemical Formula Parsing. Syntax only, no semantics. No external library dependencies, namespace std:: only. Uses UnitTest++ during development to ensure consistent behaviour.