title: Three-dimensional representations of complex carbohydrates and polysaccharides--SweetUnityMol: a video game-based computer graphic software.
abstract: A molecular visualization program tailored to deal with the range of 3D structures of complex carbohydrates and polysaccharides, either alone or in their interactions with other biomacromolecules, has been developed using advanced technologies elaborated by the video games industry. All the specific structural features displayed by the simplest to the most complex carbohydrate molecules have been considered and can be depicted. This concerns the monosaccharide identification and classification, conformations, location in single or multiple branched chains, depiction of secondary structural elements and the essential constituting elements in very complex structures. Particular attention was given to cope with the accepted nomenclature and pictorial representation used in glycoscience. This achievement provides a continuum between the most popular ways to depict the primary structures of complex carbohydrates to visualizing their 3D structures while giving the users many options to select the most appropriate modes of representations including new features such as those provided by the use of textures to depict some molecular properties. These developments are incorporated in a stand-alone viewer capable of displaying molecular structures, biomacromolecule surfaces and complex interactions of biomacromolecules, with powerful, artistic and illustrative rendering methods. They result in an open source software compatible with multiple platforms, i.e., Windows, MacOS and Linux operating systems, web pages, and producing publication-quality figures. The algorithms and visualization enhancements are demonstrated using a variety of carbohydrate molecules, from glycan determinants to glycoproteins and complex protein-carbohydrate interactions, as well as very complex mega-oligosaccharides and bacterial polysaccharides and multi-stranded polysaccharide architectures.
authors.affiliation: Département Pharmacochimie Moléculaire, CNRS, UMR 5063, Université Grenoble-Alpes, Grenoble, France spsergeperez@gmail.com.
authors.forename: Serge
authors.initials: S
authors.lastname: Pérez
authors.affiliation: Laboratoire de Biochimie Théorique, CNRS, UPR 9080, Université Paris Diderot Sorbonne Paris Cité, Paris, France.
authors.forename: Thibault
authors.initials: T
authors.lastname: Tubiana
authors.affiliation: Centre de Recherches sur les Macromolécules Végétales, CNRS, UPR 5301, Université Grenoble-Alpes, Grenoble, France.
authors.forename: Anne
authors.initials: A
authors.lastname: Imberty
authors.affiliation: Laboratoire de Biochimie Théorique, CNRS, UPR 9080, Université Paris Diderot Sorbonne Paris Cité, Paris, France.
authors.forename: Marc
authors.initials: M
authors.lastname: Baaden
mesh_terms: D002236:Carbohydrate Conformation; D002241:Carbohydrates / Q000737:chemistry*; D012984:Software; D018910:Video Games
chemical_list: D002241:Carbohydrates
keywords: 3D visualization, glycan; polysaccharides; software