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ChemEx is an analysis program for chemical exchange detected by NMR.

Project description

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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.

Installation

The easiest way to install chemex is via [conda](http://conda.pydata.org): `bash conda install -c conda-forge chemex ` If your version of python is less than 3.5, you can also install chemex in a separate conda environment enforcing the use of python 3.7: `bash conda create -c conda-forge -n chemex python=3.7 chemex conda activate chemex ` chemex is also available via the [Python package index](https://pypi.python.org/pypi/chemex) using pip: `bash pip install chemex ` The development version can be installed directly from github via pip: `bash pip install git+https://github.com/gbouvignies/chemex.git `

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