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MagNes is a C++ programming interface for implementation of different algorithms and graphical rendering through run-time plugins.
MagNes currently provides:
-A complete C++ API for managing of chemical information
-A rich set of parsers (PDB, XYZ, Gaussian and many others)
-An OpenGL based visor for molecular rendering.
-A C++ API for implementation of Karplus-like equations for prediction of NMR scalar couplings.
Features
- OpenGL visor
- Karplus equations
- Scalar coupling computation
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