ChirPy – A python package for analysing supramolecular and electronic structure, chirality and dynamics

ChirPy (chiral python) is a python package for analysing supramolecular and electronic structure, chirality and dynamics. It's main features comprise computing supramolecular vibrational circular dichroism (VCD) based on molecular dynamics (MD) and time-correlation functions and the periodic gauge for magnetic moments dealing with electronic current data from linear response calculations general processing of MD files and simulation topologies visualisation and interfacing with VMD