Method for carrying out crystal macromolecule three-dimensional visualization by adopting augmented reality technology

Abstract

The invention discloses a method for carrying out crystal macromolecule three-dimensional visualization by adopting an augmented reality technology. The method comprises the following steps: 1) establishing a spatial structure database for crystal macromolecule according to the spatial structure data of the crystal macromolecule; 2) establishing a visualization model according to the obtained three-dimensional spatial structure data of the crystal macromolecule under the environment of open GL; 3) realizing the crystal macromolecule three-dimensional visualization on the basis of the augmented reality; and 4) further developing and realizing the functions of information inquiry and reconstruction of the crystal macromolecule under the condition of enhancing the display. According to the method for carrying out crystal macromolecule three dimensional visualization by adopting augmented reality technology, carrying out an interaction with the crystal macromolecule by researchers is allowed, and carrying out reconstruction to an original structure of the crystal macromolecule on the basis of research need has important significance to teaching experiment and scientific research, and is helpful to improve teaching experiment level and quality and efficiency of the scientific research.

Description

technical field [0001] The invention relates to a new method for visualizing the three-dimensional spatial structure of crystal macromolecules, in particular to a method for using augmented reality technology to visualize three-dimensional macromolecules of crystals. Background technique [0002] With the vigorous development of material science and life science, molecular simulation systems play an increasingly important role in scientific research and production, and 3D visualization is of great significance for analyzing the structure and dynamic properties of macromolecules. Macromolecular simulation involves many aspects such as molecular mechanics calculation, molecular dynamics simulation, energy optimization, conformation analysis, structure prediction, molecular docking, etc. The amount of calculation in each aspect is amazing. In addition to a huge amount of calculation, in order to effectively analyze and process the obtained data, a high-performance and high-effi...

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Problems solved by technology

At present, the research on molecular modeling using different development tools in the existing technology has been carried out at home and abroad, such as molecular simulation software RosMol, Chime, VMD and Cerius, etc., most of them have the function of three-dimensional display of molecular structure, and support molecular Dynamic demonstration of the simulation process, but these software are generally expensive and costly to use, and can only run on high-end graphics workstations

In China, some scholars have conducted research on macromolecular visualization based on OpenGL and Java3D, such as downloading relevant data from the Internet and obtaining visualization results on a computer equipped with molecular simulation software, but this method has certain limitations, such as observing The user's sense of immersion is not strong enough, and the user's interactive function on the crystal macromolecular model is still a traditional operation method, and it is difficult to reconstruct the crystal macromolecular structure in real time

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