MDAnalysis 2.0 and beyond: fast and interoperable, community driven simulation analysis

Continued improvements in computational power have enabled the running of molecular dynamics simulations of increasingly complex nature, necessitating a corresponding evolution of analysis workflows to handle and extract features from the simulation data. MDAnalysis (https://www.mdanalysis.org) is a free open-source Python library for molecular simulations analysis, with support for over 40 file formats covering most popular simulation packages. It allows users to read, write and manipulate trajectories or individual structures, offers a variety of common analysis methods such as RMSD and hydrogen bonding, and is easily extensible to match individual needs.