ChemEx is an analysis program for chemical exchange detected by NMR
Project description
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.
Installation
The easiest way to install chemex is via conda:
conda install -c conda-forge chemex
If your version of python is less than 3.9, you can also install chemex in a separate conda environment enforcing the use of python 3.9+:
conda create -c conda-forge -n chemex python=3.10 chemex
conda activate chemex
chemex is also available via the Python package index using pip:
pip install chemex
The development version can be installed directly from github via pip:
pip install git+https://github.com/gbouvignies/chemex.git
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