Bioexcel Webinar #75: VIAMD: A Software for Visual Analysis of Molecular Dynamics

BioExcel, the leading European Centre of Excellence for computational biomolecular research, aims to support Life Science academic and industrial researchers in the effective use of HPC biomolecular software and continues BioExcel’s webinar series with its top experts in biomolecular modelling and simulations tools. Welcome!

Webinar #75: VIAMD: A Software for Visual Analysis of Molecular Dynamics

Abstract

The typical workflow in molecular dynamics (MD) analysis requires several separate tools, often resulting in a lack of synergy and interaction between the individual analysis steps. In this seminar, we will present VIAMD (https://github.com/scanberg/viamd) , an application designed to address this issue by integrating a 3D visualization of molecular trajectories with flexible analysis components. VIAMD uses an interactive scripting interface, allowing for property definition and evaluation. The application provides context-aware suggestions and expression feedback through information and visualizations. The user-defined properties can be explored and analyzed through the various components. This enables correlation with spatial conformations, statistical analysis of distributions, and powerful aggregation of multidimensional properties such as spatial distribution functions. We would be happy to use data from the participants for the webinar, so contact us if you are willing to share your data with us.

https://pubs.acs.org/doi/10.1021/acs.jcim.3c01033

Presenters

Robin Skånberg and Mathieu Linares

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