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电子预测模型软件将分子建模嵌入专业动画软件环境中。

ePMV embeds molecular modeling into professional animation software environments.

机构信息

Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA.

出版信息

Structure. 2011 Mar 9;19(3):293-303. doi: 10.1016/j.str.2010.12.023.

Abstract

Increasingly complex research has made it more difficult to prepare data for publication, education, and outreach. Many scientists must also wade through black-box code to interface computational algorithms from diverse sources to supplement their bench work. To reduce these barriers we have developed an open-source plug-in, embedded Python Molecular Viewer (ePMV), that runs molecular modeling software directly inside of professional 3D animation applications (hosts) to provide simultaneous access to the capabilities of these newly connected systems. Uniting host and scientific algorithms into a single interface allows users from varied backgrounds to assemble professional quality visuals and to perform computational experiments with relative ease. By enabling easy exchange of algorithms, ePMV can facilitate interdisciplinary research, smooth communication between broadly diverse specialties, and provide a common platform to frame and visualize the increasingly detailed intersection(s) of cellular and molecular biology.

摘要

日益复杂的研究使得为出版、教育和推广准备数据变得更加困难。许多科学家还必须研究黑盒代码,以便将来自不同来源的计算算法集成到他们的实验工作中。为了减少这些障碍,我们开发了一个开源插件,嵌入式 Python 分子查看器(ePMV),它可以直接在专业的 3D 动画应用程序(主机)中运行分子建模软件,从而可以同时访问这些新连接系统的功能。将主机和科学算法集成到一个单一的界面中,允许来自不同背景的用户轻松组装专业质量的视觉效果,并相对轻松地进行计算实验。通过实现算法的轻松交换,ePMV 可以促进跨学科研究,促进广泛不同专业之间的顺畅沟通,并为细胞和分子生物学日益详细的交叉点提供一个共同的框架和可视化平台。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1163/3101797/aeff6b6fd84c/nihms283232f1.jpg

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