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SYSTEM FOR PRESENTING AN INTERMOLECULAR FORCE TO MAKE A USER SENSE THE INTERMOLECULAR FORCE AT A REAL TIME AND A METHOD FOR IMPLEMENTING THE SYSTEM

机译:呈现分子间力以使用户实时感测分子间力的系统和实现该系统的方法

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.
机译:目的:提供了一种用于显示分子间力的系统和一种用于实现该系统的方法,以实时地计算分子间力以及计算的当前结果,从而使用户实时地感测分子间力。构成:坐标信息输入单元(100)输入关于由分子组成的各个原子的3维坐标的信息。实时力计算单元(104)根据该信息计算分子间力,并根据计算结果计算分子间力的矢量值。力反馈处理单元(102)将信息提供给实时力计算单元,并从实时力计算单元接收计算结果。静止分子构成单元(106)根据在实时力计算单元的控制下加载的信息将静止分子重构为随机坐标系。移动分子构成单元(108)根据在实时力计算单元的控制下加载的信息将移动分子重构为随机坐标系。力呈现信息输出单元(112)输出固定分子和移动分子的位置,方向,轨迹和预测路径。

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