About ===== .. toctree:: :hidden: :maxdepth: 1 License pyANCA is a molecular dynamics trajectory analysis toolkit to: 1. Measure anharmonicity in the form of higher-order statistics and its variation as a function of time. 2. Build a story based representation of the simulations to identify key anharmonic conformational events. 3. Identify putative anharmonic conformational substates and visualize transitions between these substates. .. vim: tw=75