摘要
计算机辅助分子模型系统MMBS采用两种输入方法,线型编码法和二维图形法,模型生成采用三维碎片子结构构造法,并采用快速子结构匹配实现结构感知。系统具有较强的图形显示和操作功能。
The computer-aided molecular modeling system MMBS is reported in this paper.Two methods are employed in molecular structure input,which are linear notation and 2-D graphics.A repid substructure matching method and the 3-D fragments stored in the knowledge base are used to build the molecular models.The MMBS shows a powerful capacity on graphic display and manipulation.
出处
《计算机与应用化学》
CAS
CSCD
1995年第2期128-131,共4页
Computers and Applied Chemistry
基金
国家自然科学基金
关键词
分子模型
结构输入
CAMM
MMBS
Computer-aided molecular modeling,Structure input,Structure construction,Graphic display