THIS PROJECT IS RENAMED AND MOVED to nmrsim <https://github.com/sametz/nmrsim>
The goal of the nmrtools project is to create and distribute a Python library for the simulation of solution-state nuclear magnetic resonance (NMR) spectra.
The project is inspired by the program WINDNMR by Hans Reich. The initial goal for the nmrtools package is to provide the tools needed to perform the same types of calculations that WINDNMR did--first- and second-order simulation of spin-1/2 spin systems, plus simulation of some dynamic NMR (DNMR) lineshapes. A longer-term goal is to expand the toolset (e.g. allow higher-spin nuclei, or new DNMR models).
The repository will hold additional material such as notebooks, exploratory code, and other random materials, as the project is hammered into shape.