MODE-TASK: Large-scale protein motion tools

Summary MODE-TASK, a novel software suite, comprises Principle Component Analysis, Multidimensional Scaling, and t-Distributed Stochastic Neighbor Embedding techniques using molecular dynamics trajectories. MODE-TASK also includes a Normal Mode Analysis tool based on Anisotropic Network Model so as to provide a variety of ways to analyse and compare large-scale motions of protein complexes for which long MD simulations are prohibitive. Availability and Implementation MODE-TASK has been open-sourced, and is available for download from https://github.com/RUBi-ZA/MODE-TASK , implemented in Python and C++. Supplementary information Documentation available at http://mode-task.readthedocs.io .