Augmented and virtual reality software tools | Drug discovery data analysis
There is a growing interest for the broad use of Augmented Reality (AR) and Virtual Reality (VR) in the fields of bioinformatics and cheminformatics to visualize complex biological and chemical structures. AR and VR technologies allow for stunning and immersive experiences, offering untapped opportunities for both research and education purposes.
Interacts with large bio-macromolecules at atomistic level. ChemPreview is an augmented reality app that could be used to visual representation of a protein using hand gestures in real three-dimensional (3D) space. It allows users to (i) build molecule by hands or importing a PDBML/XML file, (ii) modify the current structure by adding and deleting atoms, (iii) adjust the current structure by moving, rotating atoms, (iv) measure the distance, angle and dihedral, and (v) operate multiple atoms together.
Offers a way to explore several chemical spaces through virtual reality (VR). Virtual Reality Chemical Space is an application allowing the browsing of Drugbank in VR and also proposing a framework able to generate visualizations of different databases. This software uses a ball-and-stick model to describe compounds as well the CPK coloring convention. It also includes features intending to diminish virtual reality sickness.
Quantifies and characterizes virtual chemical libraries. Plexus Design offers a platform enabling the calculation of physical-chemical properties for single structures as well as the creation of librairies by the use of either scaffold- or reaction-based enumeration. This software can be used as part of Plexus Suite to elaborate a complete compounds discovery process.
Allows creation of a virtual reality environment. Molecular Rift combines a real virtual reality (VR) experience with a natural and interactive way of controlling the computer. The software is divided into two parts: one traditional start menu (no VR) and one VR environment for the visualization and interaction with molecular models. The realistic 3D effects offered by the VR demonstrate potential when investigating various molecular systems. Molecular Rift aims to bring virtual reality to drug designers cross the globe.
Converts (bio)molecular structures into ready-to use input models for Augmented Reality and Virtual Reality (AR/VR) platforms and 3D printers. RealityConvert generates 3D (bio)molecular models encoded using standard file formats (obj and mtl) that allow deployment and import in the vast majority of AR and VR programs as well as 3D printing tools. The software can be useful for research and teaching purposes, could contribute to boost the development of AR/VR contents, and help both students and researchers when browsing and exploring complex biomolecular objects.