Litcius/Paper detail

MartiniGlass: a Tool for Enabling Visualization of Coarse-Grained Martini Topologies

Christopher Brasnett, ‪Siewert J. Marrink

2025Journal of Chemical Information and Modeling12 citationsDOIOpen Access PDF

Abstract

As molecular modeling gains ever more prominence in understanding cellular processes, high quality visualization of models and dynamics has never been more important. Naturally, much molecular visualization software is written to enable the visualization of atomic level details in structures. While necessary, this means that visualization of increasingly popular coarse-grained (CG) models remains a challenge. Here, we present a Python package, MartiniGlass, that facilitates the visualization of systems simulated with the widely used CG Martini force field using the popular visualization package VMD. MartiniGlass rapidly processes molecular topologies and accounts for important topological features at CG resolution, such as secondary structure restraints, preparing them for easy visualization of simulated trajectories.

Topics & Concepts

VisualizationNetwork topologyComputer scienceData miningOperating systemComputational Geometry and Mesh Generation3D Shape Modeling and AnalysisData Visualization and Analytics