基于通用网关接口的万维网分子图形程序系统

H. Yoshida, H. Matsuura
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引用次数: 0

摘要

介绍了一个基于通用网关接口(CGI)的基于万维网的交互式分子图形程序系统CyberMol。从WWW浏览器输入的分子坐标可以转换为虚拟现实建模语言(VRML)格式文件,并通过使用WWW上的VRML查看器将其视为分子模型。由从头算分子轨道程序高斯94计算的振动模式可以可视化。还提供了有机分子结构数据库和利用VRML查看器显示分子模型的搜索引擎。
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CyberMol-A Molecular Graphics Program System on the World Wide Web Using the Common Gateway Interface
CyberMol, an interactive molecular graphics program system on the World Wide Web (WWW) using the Common Gateway Interface (CGI) is presented. The molecular coordinates which are inputted from the WWW browser can be transferred to the Virtual Reality Modeling Language (VRML) format file and viewed as a molecular model by using a VRML viewer on the WWW. The vibrational modes calculated by the ab initio molecular orbital program GAUSSIAN 94 can be visualized. The organic molecular structure database and the search engine for displaying molecular models by using the VRML viewer are also provided.
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