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Cover Image, Volume 39, Issue 12
Publication year - 2018
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.25210
Subject(s) - computer science , plug in , citation , computer graphics (images) , animation , cover (algebra) , visualization , subject (documents) , world wide web , artificial intelligence , programming language , engineering , mechanical engineering
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 )