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APPARATUS FOR PROVIDING INTERACTION FORCE EXPRESSION AMONG MOLECULES AND METHOD THEREFOR
APPARATUS FOR PROVIDING INTERACTION FORCE EXPRESSION AMONG MOLECULES AND METHOD THEREFOR
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机译:提供分子间相互作用力的装置及其方法
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摘要
PURPOSE: A system for presenting an intermolecular force and a method for implementing the system are provided to calculate the intermolecular force at a real time and current result of the calculation, thereby making a user sense the intermolecular force at a real time. CONSTITUTION: A coordinate information input unit(100) inputs information regarding 3-dimensional coordinates of respective atoms which are made up of molecules. A real time force computing unit(104) calculates an intermolecular force according to the information and computes a vector value of the intermolecular force in accordance with the computed result. A force feedback-processing unit(102) provides the information to the real time force-computing unit and receives the computed result from the real time force-computing unit. A stationary molecule constitution unit(106) reconstitutes stationary molecules to a random coordinates system according to information loaded under control of the real time force-computing unit. A mobile molecules constitution unit(108) reconstitutes mobile molecules to a random coordinates system according to information loaded under control of the real time force-computing unit. A force presentation information-outputting unit(112) outputs positions, directions, traces, and predictive paths of the stationary molecules and the mobile molecules.
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