三维分子结构的制作、显示和格式转换

Modeling, visualization and transformation of 3D molecular structure

本文总结了各种三维分子结构在计算机和网络上显示与制作的方法,包括三维动画如3D Studio MAX、VRML、化学结构插件如MDL Chime Plugin、CS ChemOffice Plugin和HyperChem Plugin等、CML、Flash 3D动画、JAVA动画等,比较了他们制作和显示三维分子的优缺点,同时总结了各种三维分子结构格式的相互关系及转换方法,认为以通用的“mol”格式可以作中介可以较好地实现格式转换。

The methods of visualization and creation of 3 D molecular structure, which is very useful in science research, academic information exchange and especially in learning and teaching, are summarized. Such as 3D Studio MAX, VRML, MDL Chime Plugin, CS ChemOffice Plugin and HyperChem Plugin, CML, Flash 3D and JAVA animation. Their advantages and disadvantages in structure creation are also summarized. Relation of different types of 3 D molecular structure file and their transformation techniques are discussed, the “ MOL” format of molecular structure is proposed as the transformation medium.