ChemEx is an analysis program for chemical exchange detected by NMR.
Project description
[](https://app.codacy.com/app/gbouvignies/chemex?utm_source=github.com&utm_medium=referral&utm_content=gbouvignies/chemex&utm_campaign=Badge_Grade_Dashboard) [](https://travis-ci.org/gbouvignies/chemex)
Overview
ChemEx is an analysis program for chemical exchange detected by NMR.
It is designed to take almost any kind of NMR data to aid the analysis, but the principle techniques are CPMG relaxation dispersion and Chemical Exchange Saturation Transfer.
Quick install
In a clean directory run:
git clone https://github.com/gbouvignies/chemex
Navigate to the chemex directory and run:
python setup.py install –user
Quick update
To get the latest code using git:
git pull
Then simply re-run the install command above.
Prerequisites
You should have installed on your system:
[Python>=3.5](https://www.python.org/downloads/)
[SciPy>=1.0](https://www.scipy.org/install.html)
[NumPy>=1.0](https://www.scipy.org/scipylib/download.html)
[Matplotlib>=2.0](http://matplotlib.org/users/installing.html)
[LmFit>=0.9.11](https://lmfit.github.io/lmfit-py/)
[ASTEVAL>=0.9.11](https://github.com/newville/asteval)
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