A set of python classes and functions to postprocess molecular dynamics simulation data. The intentions of the software are to:
- Read in xyz data
- Output basic statistics from the simulation output
- Calculate connectivities
- Calculate configurational entropies
This software is not yet suitable for public consumption. If you're interested in the project, or have any questions, please open a new issue or drop me an email at bob.myhill(at)bristol.ac.uk.