摘要
在开发基于 Internet的中药信息检索系统时 ,为了解决三维 (3D)化学结构在 Internet上的传输和显示问题 ,利用分子模型和描述 3D世界的虚拟现实模型语言等技术开发了一个可以把化学的 MOL 2或 ML 2格式文件转换为球棍型、空间充满型、线型、棍型等 4种虚拟现实模型语言格式文件的软件 .介绍了制作此软件的方法 ,并给出了一个具体的应用实例 .结果表明 ,用此软件产生的分子模型适合 3D化学结构在 Internet上的表达 .
A program——VRMLMaker has been developed for the 3D chemical structure display on the Internet in our chinese drug database retrieval system (CDDBRS). VRMLMaker can convert a molecular MOL2 or ML2 format file to VRML format files in four different styles:wire frame, capped sticks, ball and stick, and a CPK space filling model. VRMLMaker is developed based upon molecular model and virtual reality modeling language(VRML)techniques. The working procedures of VRMLMaker are described. The utility of VRMLMaker is illustrated by an example and four style VRML scenes are also given for demonstrating the function of VRMLMaker. It is shown that the usage of VRML is a very efficient and powerful method for the transport of 3D molecular models on the Internet.
出处
《应用科学学报》
CAS
CSCD
2000年第2期95-100,共6页
Journal of Applied Sciences
基金
973国家重点基础研究发展规划项目!(G1 9980 5 1 1 1 5 )
