Abstract

Visualization has always been a crucial part of the educational process. Implementing computer algorithms and virtual reality tools into it is vital for the new generation engineers, scientists and researchers. In the field of chemistry education, various software that allow dynamic molecular building and viewing are currently available. These software are now used to enhance the learning process and ensure better understanding of the chemical processes from the visual perspective. The present short communication provides a summary of these applications based on the NarupaXR program, which is a great educational tool that combines the functionality and simple design necessary for an educational tool. NarupaXR is used with a companion application “Narupa Builder” which requires a different file format, therefore a converter that allows a simple transition between the two extensions has been developed. The converter sufficiently increases the efficiency of the educational process. The automatic converter is freely available on GitLab The current communication provides detailed written instructions that can simplify the installation process of the converter and facilitate the use of both the software and the hardware of the VR set.

Highlights

  • Due to the rapid development of computer technologies, more attention is paid to the areas of their intersection with chemistry, including infochemistry [1,2,3,4]

  • The goal of this work was to create an open access converter, which speeds up the process of transforming raw mol2 files, obtained from Narupa Builder, into the final xml files that are loaded into the NarupaXR environment

  • In the xml file, which can be run in NarupaXR, it is necessary to type all coordinates, temperature, types of bonds and other structural information into a new xml file

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Summary

Introduction

Due to the rapid development of computer technologies, more attention is paid to the areas of their intersection with chemistry, including infochemistry [1,2,3,4]. New interactive tools are being created in order to improve the quality of teaching and open up plenty of opportunities for users to “interact” with real molecules (gases), understand their behavior and computationally simulate dynamic processes [7,8,9,10]. It has been recently reported in various studies that point atomic models in electron microscopy and X-ray density maps were built using virtual reality [11]. Simulations that allow users to interact with molecules have recently become technically available and already have been successfully applied in chemistry education [12,13]

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