mdsa-tools Python API

The API currently consists of five main modules

mdsa_tools.Data_gen_hbond

A module for creating and manipulating systems representations of molecular dynamics trajectories.

mdsa_tools.Analysis

High-level wrapper for storing and running common analyses over systems of residue–residue adjacency matrices (e.g., H-bond networks).

mdsa_tools.subdomain_explorations

Use results of systems analysis to explore potential preferred structural conformations

mdsa_tools.Cpptraj_import

This module provides utilities for importing and structuring hydrogen bond data generated by cpptraj.

mdsa_tools.Viz

The Visualization module stores all of the different operations for the various graphs we create.