JCPE Journal
Online ISSN : 1883-8367
Print ISSN : 1344-9826
ISSN-L : 1344-9826
Development of Molecular Visualization Package using Mathematica
Kazume NishidateMamoru BabaYasubei KashiwabaKiyoshi Nishikawa
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2000 Volume 12 Issue 3 Pages 221-228

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Abstract
Molecular visualization package using Mathematica is developed. We describe the detail of the molecular visualization algorithm, the structure of the package, the molecular visualization method specifying atomic positions, the incorporating method of numerical data file, and saving procedure of the graphics in optional format. Fully executable source codes for Mathematica are presented.
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© Society of Computer Chemistry, Japan
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