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SYSTEM AND METHOD FOR MOLECULAR DESIGN AND SIMULATION

机译:分子设计与仿真的系统和方法

摘要

A system and method for molecular design and simulation is disclosed. In one aspect, a system for simulating a molecular structure includes a processor configured to simulate the molecular structure, a head-mounted display (HMD) configured to display the molecular structure, and at least one handheld input device. The input device may be configured to: receive input from a user, the input being indicative of movement of the handheld input device in 6 degrees-of-freedom (DoF), and selectively map, based on additional user input and at least one property of the molecular structure, one of the DoF to one of a plurality of defined techniques for altering the molecular structure. The processor may be configured to modify the molecular structure based on the received input as mapped to the selected defined technique.
机译:公开了用于分子设计和模拟的系统和方法。在一个方面,一种用于模拟分子结构的系统包括配置为模拟分子结构的处理器,配置为显示分子结构的头戴式显示器(HMD)和至少一个手持式输入设备。该输入设备可以被配置为:从用户接收输入,该输入指示手持式输入设备在6自由度(DoF)中的运动,并且基于附加的用户输入和至少一个属性来选择性地映射。对于分子结构,可以是DoF之一,也可以是多种定义的改变分子结构的技术之一。所述处理器可以被配置为基于所接收的输入(如映射到所选择的定义的技术)来修饰分子结构。

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