title: ChemPreview: an augmented reality-based molecular interface.
abstract: Human computer interfaces make computational science more comprehensible and impactful. Complex 3D structures such as proteins or DNA are magnified by digital representations and displayed on two-dimensional monitors. Augmented reality has recently opened another door to access the virtual three-dimensional world. Herein, we present an augmented reality application called ChemPreview with the potential to manipulate bio-molecular structures at an atomistic level. ChemPreview is available at https://github.com/wallerlab/chem-preview/releases, and is built on top of the Meta 1 platform https://www.metavision.com/. ChemPreview can be used to interact with a protein in an intuitive way using natural hand gestures, thereby making it appealing to computational chemists or structural biologists. The ability to manipulate atoms in real world could eventually provide new and more efficient ways of extracting structural knowledge, or designing new molecules in silico.
authors.affiliation: Department of Physics and International Center for Quantum and Molecular Structures, Shanghai University, Shangda Road 99, 200444 Shanghai, China; Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster, Germany.
authors.forename: Min
authors.initials: M
authors.lastname: Zheng
authors.affiliation: Department of Physics and International Center for Quantum and Molecular Structures, Shanghai University, Shangda Road 99, 200444 Shanghai, China. Electronic address: waller@shu.edu.cn.
authors.forename: Mark P
authors.initials: MP
authors.lastname: Waller
mesh_terms: D018360:Crystallography, X-Ray; D005898:Glass / Q000737:chemistry; D008958:Models, Molecular; D013654:Taurine / Q000737:chemistry; D014584:User-Computer Interface
chemical_list: D013654:Taurine
keywords: 3D structure; Augmented reality; Computational chemistry; Molecular interface