mdsa-tools Python API
The API currently consists of five main modules
A module for creating and manipulating systems representations of molecular dynamics trajectories. |
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High-level wrapper for storing and running common analyses over systems of residue–residue adjacency matrices (e.g., H-bond networks). |
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Use results of systems analysis to explore potential preferred structural conformations |
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This module provides utilities for importing and structuring hydrogen bond data generated by cpptraj. |
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The Visualization module stores all of the different operations for the various graphs we create. |