molgri

Modules

molgri.assertions

All boolean/assertion helper functions.

molgri.constants

The central source of constants.

molgri.logfiles

Logging.

molgri.molecules

The sub-package molgri.molecules is largely based on MDAnalysis handling of molecular structure and trajectory files.

molgri.naming

Naming conventions are defined here.

molgri.paths

molgri.plotting

The molgri.plotting sub-package builds on matplotlib and seaborn to provide different visualisations of data based on a central object that should be represented.

molgri.space

The sub-package molgri.space is only concerned with geometry in 3- and 4-dimensional spaces.

molgri.wrappers

All project-applicable wrappers.