A Companion Converter for Immersive Molecular Dynamics in Virtual Reality to Save Time on Creating Simulation Files

Implementing computer algorithms and virtual reality tools into all areas of the educational process is vital for the new generation engineers, scientists and researchers. With regards to chemistry education, various software that allow dynamic molecular building and viewing are currently available. The present short communication provides a summary of these applications and a detailed description of the NarupaXR program, which has the desired mix of functionality and simple design, necessary for an educational tool. Since NarupaXR can only be used with a companion application “Narupa Builder” which has a different file format, we have developed a converter that allows a simple transition between the two extensions of the aforementioned programs and sufficiently increases the efficiency of the educational process. The automatic converter is freely available on GitLab (https://gitlab.com/teamSCAMT/converter_mol2_to_xml). We have provided this short communication with 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.