MODE-TASK: large-scale protein motion tools

Summary: MODE‐TASK, a novel and versatile software suite, comprises Principal 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. Beside the command line function, a GUI has been developed as a PyMOL plugin. Availability and implementation: MODE‐TASK is open source, and available for download from https://github.com/RUBi‐ZA/MODE‐TASK. It is implemented in Python and C++. It is compatible with Python 2.x and Python 3.x and can be installed by Conda. Supplementary information: Supplementary data are available at Bioinformatics online.

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