A package for running basic NMR simulations.
Reason this release was yanked:
networkx was neglected from the list of package requirements.
Project description
nmr_sims
NMR simulations in Python.
Some rather simple simulations of basic NMR pulse sequences.
Everything uses the Zeeman basis in Hilbert space, so nothing too fancy is possible.
Currently have pulse-acquire, 2DJ, and HSQC code available.
Install with $pip install nmr-sims
To get started, take a look at (and run) $python -m nmr_sims pa, $python -m nmr_sims jres or $python -m nmr_sims hsqc.
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