WebMGA was developed by Eduardo Battistini in 2020-21 for his final project within the BSc Computer Science at University College London, supervised by Guido Germano, Michael P. Allen, and Tobias Ritschel.
The WebGL Molecular Graphics Application, or WebMGA, is a web-based visualisation tool for coarse-grained molecular models that utilises prolated and elongated convex bodies as the elementary units of simulation.
Given the prevalence of said geometries in the modelling of liquid crystal systems and the lack of available visualisation platforms suitable for this niche, WebMGA provides a unique, out-of-the-box solution for researchers and educators to generate, stylise, and interact with three-dimensional renders of molecular simulations.
WebMGA is written in Javascript, and implements the graphics library Three.js for rendering images and the React Suite library to provide a sleek user interface that is intuitively compartmentalised and easy to learn.
WebMGA is an evolution of QMGA, an OpenGL and Qt3 bapplication written in C++, that filled this gap in molecular graphics in 2008.
If you use pictures produced with WebMGA in a scientific publication, please cite with a text like:
“The pictures were produced with WebMGA [1], an evolution based on WebGL of QMGA [2].”
- Eduardo Battistini Parra, “WebMGA, a WebGL Molecular Graphics Application for the Interactive Rendering of Coarse-Grained Liquid Crystal Models”, BSc Thesis in Computer Science, UCL, 2021, https://astromarx.github.io/WebMGA.
- Adrian T. Gabriel, Timm Meyer, Guido Germano, "Molecular graphics of convex-body fluids", Journal of Chemical Theory and Computation 4, 468-476, 2008, DOI 10.1021/ct700192z, http://qmga.sourceforce.net.
Copyright 2021. Carlos Eduardo Battistini Parra.
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