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Cover Image, Volume 39, Issue 12
Journal of Computational Chemistry ( IF 3.4 ) Pub Date : 2018-03-15 , DOI: 10.1002/jcc.25210


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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中文翻译:

封面图片,第39卷,第12期

分子动力学(MD)模拟提供了有关生物学机制的见解。现有的MD可视化程序无法实现电影和视频游戏行业中常见的许多高级渲染算法。相反,开源程序Blender包含此类算法,但无法导入MD仿真数据。正如Jacob D. Durrant和Nivedita Rajendiran在第748页上所证明的,Pyrite(一个Blender插件)克服了这些限制,使Blender中的MD可视化成为可能。封面说明了从shroom2 / rock1的MD派生动画中提取的单个帧。使用Blender的粒子和物理系统生成的模拟头发会根据通过Pyrite导入的基础动态蛋白质的运动而运动。雅各布·杜兰特(Jacob Durrant)和凯文·卡西迪(Kevin Cassidy)摄。(DOI:10.1002 / jcc.25155)
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更新日期:2018-03-15
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