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Acta Chimica Sinica ›› 1996, Vol. 54 ›› Issue (7): 654-660. Previous Articles Next Articles
Original Articles
胡昌玉;许禄
发布日期:
HU CHANGYU;XU LU
Published:
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A new algorithm for computer perception of topological symmetry is proposed. A node library containing various kinds of nodes is built, and the index number of the library is used as initial atom class identifier (CI) to discriminate the different types of non-hydrogen atoms. The path index (PI) and ringindex (RI) are calculated from the CI, and the global topological enviroment is defined as the sum of PIs and RIs. The topological symmetry can be detected by the iterative calculation of the global topological enviroment.
Key words: TOPOLOGY, OMPUTER RECOGNITION
CLC Number:
O64
HU CHANGYU;XU LU. Study on computer perception of topological symmetry[J]. Acta Chimica Sinica, 1996, 54(7): 654-660.
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