Journal of Computational Chemistry 2018-03-15

Cover Image, Volume 39, Issue 12

Index: 10.1002/jcc.25210

Full Text: HTML

Abstract

Molecular dynamics (MD) simulations provide insights into biological mechanisms. Existing MD visualization programs do not implement many of the advanced rendering algorithms common in the film and video-game industries. In contrast, the open-source program Blender includes such algorithms but cannot import MD-simulation data. As proven by Jacob D. Durrant and Nivedita Rajendiran on page 748, Pyrite, a Blender plugin, overcomes these limitations, enabling MD visualizations within Blender. The cover illustrates a single frame taken from an MD-derived animation of shroom2/rock1. Simulated hair, generated using Blender's particle and physics systems, moves subject to the motions of the underlying dynamic protein, imported via Pyrite. Image by Jacob Durrant and Kevin Cassidy. (DOI: 10.1002/jcc.25155)

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