mdsynthesis 0.6.1

As computing power increases, it is now possible to produce hundreds of molecular dynamics simulation trajectories that vary widely in length, system size, composition, starting conditions, and other parameters. Managing this complexity in ways that allow use of the data to answer scientific questions has itself become a bottleneck. MDSynthesis is an answer to this problem.

Built on top of datreant, MDSynthesis gives a Pythonic interface to molecular dynamics trajectories using MDAnalysis, giving the ability to work with the data from many simulations scattered throughout the filesystem with ease. It makes it possible to write analysis code that can work across many varieties of simulation, but even more importantly, MDSynthesis allows interactive work with the results from hundreds of simulations at once without much effort.