MOLECULAR INFORMATION PROVIDING SYSTEM, DEVICE AND METHOD, METHOD FOR CONTROLLING INFORMATION PROCESSOR AS MOLECULAR INFORMATION PROVIDING DEVICE, PROGRAM FOR MAKING INFORMATION PROCESSOR EXECUTE THE METHOD, MECHANICALLY-READABLE STORAGE MEDIUM RECORDING THE PROGRAM AND GRID COMPUTING SUPPORT DEVICE FOR MOLECULAR ORBITAL CLACULATION

摘要

PROBLEM TO BE SOLVED: To enable the sharing of molecular information by enabling the providing of high precise information without depending on the format of an atomic row notation from a terminal device.

SOLUTION: This molecular information providing system comprises terminal devices 12-16 including a molecular structure input and output means, and the molecular information providing device 18 connected to the devices 12-16 through a network and including a database 32 storing a molecular structure, an intermediate expression generated from the molecular structure and a characteristic determined depending on the molecular structure. The device 18 further comprises a coordinate system conversion part 40 for converting the molecular structure to the intermediate expression obtained by calculating a main inertial axis from a designated atomic row notation and converting an atomic coordinate to the inertial axial coordinate system followed by registering in the database 32, and a retrieval execution part 46 for retrieving the molecular structure stored in the database 32 by use of the intermediate expression.

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