Installation#

The simpnmr_x Python package and its command-line interface can be installed using the standard pip package manager.

pip install simpnmr-x

To test that the installation was successful, run the following command:

simpnmr-x -h

If you prefer using isolated Python environments, you may use tools such as venv or conda. Environment management is optional and not required for using simpnmr_x.

You are now ready to start using SimpNMR-X. Head to the Workflows pages for more information.

Updating#

To update SimpNMR-X, run:

pip install simpnmr-x --upgrade