Installation

Install the latest published version

To install the latest stable release, run the following command in a terminal:

pip install nmrdfrommd

Install the development version

To install the latest development version of NMRDfromMD, clone the repository, NMRDfromMD, from GitHub, and use pip from the main directory:

git clone https://github.com/NMRDfromMD/nmrdfrommd.git

cd nmrdfrommd/

pip install .

You can then run the test suite using pytest:

cd tests
pytest .