Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry-standard rendering techniques,Journal of Computational Chemistry

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Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry-standard rendering techniques
Journal of Computational Chemistry ( IF 3.4 ) Pub Date : 2017-12-26 , DOI: 10.1002/jcc.25155
Nivedita Rajendiran ₁ , Jacob D. Durrant ₁

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Molecular dynamics (MD) simulations provide critical insights into many biological mechanisms. Programs such as VMD, Chimera, and PyMOL can produce impressive simulation visualizations, but they lack many advanced rendering algorithms common in the film and video‐game industries. In contrast, the modeling program Blender includes such algorithms but cannot import MD‐simulation data. MD trajectories often require many gigabytes of memory/disk space, complicating Blender import. We present Pyrite, a Blender plugin that overcomes these limitations. Pyrite allows researchers to visualize MD simulations within Blender, with full access to Blender's cutting‐edge rendering techniques. We expect Pyrite‐generated images to appeal to students and non‐specialists alike. A copy of the plugin is available at http://durrantlab.com/pyrite/, released under the terms of the GNU General Public License Version 3. © 2017 Wiley Periodicals, Inc.

中文翻译：

Pyrite：使用行业标准渲染技术可视化分子动力学模拟的搅拌器插件

分子动力学 (MD) 模拟为许多生物机制提供了重要的见解。VMD、Chimera 和 PyMOL 等程序可以生成令人印象深刻的模拟可视化，但它们缺乏电影和视频游戏行业中常见的许多高级渲染算法。相比之下，建模程序 Blender 包含此类算法，但无法导入 MD 模拟数据。MD 轨迹通常需要许多 GB 的内存/磁盘空间，使 Blender 导入变得复杂。我们展示了 Pyrite，这是一个克服这些限制的 Blender 插件。Pyrite 允许研究人员在 Blender 中可视化 MD 模拟，并完全访问 Blender 的尖端渲染技术。我们希望 Pyrite 生成的图像能够吸引学生和非专业人士。该插件的副本可在 http://durrantlab.com/pyrite/ 获得，

更新日期：2017-12-26

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