Installation#

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

pip install simpnmr

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

simpnmr -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.

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

Updating#

To update SimpNMR, run:

pip install simpnmr --upgrade