analysis

Simulation state data and trajectory analysis

This module provides a variety of classes for analyzing simulation trajectories.

mdcraft.analysis.base

Analysis base classes

mdcraft.analysis.electrostatics

Electrostatic properties

mdcraft.analysis.polymer

Polymeric properties

mdcraft.analysis.profile

Linear profiles

mdcraft.analysis.reader

Topology and trajectory readers

mdcraft.analysis.structure

Bulk structural properties

mdcraft.analysis.thermodynamics

Thermodynamic properties

mdcraft.analysis.transport

Transport properties