chemex 2022.3.6

An analysis program for chemical exchange detected by NMR

ChemEx

Overview

ChemEx is an analysis program for chemical exchange detected by NMR. It is designed to analyze various types of NMR data, with a focus on CPMG relaxation dispersion and Chemical Exchange Saturation Transfer techniques.

Installation

You can install chemex using different methods:

Conda

The recommended 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 create a separate conda environment and enforce the use of Python 3.9+:

conda create -c conda-forge -n chemex python=3.10 chemex
conda activate chemex

PyPI (Python Package Index)

chemex is also available on the Python Package Index and can be installed using pip:

pip install chemex

Development Version

To install the development version directly from GitHub, you can use pip:

pip install git+https://github.com/gbouvignies/chemex.git

Make sure you have Git installed and configured on your system before running this command.

Contributing

Contributions are welcome! If you find any issues or have suggestions for improvements, please open an issue or a discussion on the GitHub repository. We appreciate your feedback and involvement in making ChemEx better.

License

ChemEx is released under the MIT License. Please see the LICENSE file for more details.