Computational tools for drawing, building and displaying carbohydrates: a visual guide

Beilstein J Org Chem. 2020 Oct 2:16:2448-2468. doi: 10.3762/bjoc.16.199. eCollection 2020.

Abstract

Drawing and visualisation of molecular structures are some of the most common tasks carried out in structural glycobiology, typically using various software. In this perspective article, we outline developments in the computational tools for the sketching, visualisation and modelling of glycans. The article also provides details on the standard representation of glycans, and glycoconjugates, which helps the communication of structure details within the scientific community. We highlight the comparative analysis of the available tools which could help researchers to perform various tasks related to structure representation and model building of glycans. These tools can be useful for glycobiologists or any researcher looking for a ready to use, simple program for the sketching or building of glycans.

Keywords: bioinformatics; carbohydrate; glycan; glycobiology; nomenclature; oligosaccharide; polysaccharide; representation; structure.

Publication types

  • Review

Grants and funding

This research was performed within the framework of the PhD4GlycoDrug Innovative Training Network and was funded from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 765581. The work was supported by the Cross-Disciplinary Program Glyco@Alps, within the framework “Investissement d’Avenir” program [ANR-15IDEX-02].