MODE-TASK: large-scale protein motion tools.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 29850770.
- Also identified by DOI 10.1093/bioinformatics/bty427 and PMC identifier 6198866.
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Abstract
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. 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 data are available at Bioinformatics online.
Medical subject headings
- Molecular Dynamics Simulation
- Proteins
- Software