Tutorials

These tutorials showcase some of things that are possible with BioSimSpace.

This tutorial assumes that you have installed BioSimSpace following the instructions here, and have activated the Anaconda / miniconda Python environment into which BioSimSpace was installed. You can test this by starting python and typing

>>> import BioSimSpace as BSS

If BioSimSpace imports without error, then everything is working.

If you can’t import BioSimSpace, or have any other problems, then please ask for support.

• Crystal water
• Hydration free energy
• Metadynamics
• Alchemical Protein Mutations
• Alchemical Transfer Method