mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data.

We present mdciao, an open-source command line tool and Python Application-Programming-Interface (API) for easy, one-shot analysis and representation of molecular dynamics (MD) simulation data. Building upon the widely used concept of residue-residue contact-frequencies, mdciao offers a wide spectru...

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Bibliographic Details
Main Authors: Guillermo Pérez-Hernández, Peter W Hildebrand
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2025-04-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1012837
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