| 摘要 |
PROBLEM TO BE SOLVED: To surely execute simulation of molecule addition and modification while avoiding unintended bonding of constituent atoms with one another. SOLUTION: A molecule design support device 400 includes a movement unit 430 and an interference determination unit 440. The movement unit 430 moves one atom group relatively in the following two atomic groups to other atom group. The two atom groups means two atom groups composed of two molecules represented by molecule structure data and programmed of the bonding with each other. The two atom groups also includes two groups composed of two parts when one molecule represented by the molecule structure data is divided into two molecules. The interference determination unit 440 determines the presence of interference at a spot excluding the bonding spot between two molecule covering space in a virtual three-dimensional space each surrounding both atom groups after moving the other atom group by the movement unit 430. COPYRIGHT: (C)2011,JPO&INPIT
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