Journal of Applied Sciences ›› 2000, Vol. 18 ›› Issue (2): 95-100.

• Articles •     Next Articles

Display of 3D Chemical Structure on the Internet

HE Min, ZHOU Jia-ju   

  1. Laboratory of Computer Chemistry, Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing 100080, China
  • Received:1999-05-15 Revised:1999-10-08 Online:2000-06-30 Published:2000-06-30

Abstract: 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.

Key words: molecular model, Internet, VRML,MOL2/ML2, D chemical structure

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