Oligator: a flexible interface to draw oligosaccharide structures and generate their theoretical tandem mass spectra

Virginie Lollier; Mathieu Fanuel; David Ropartz; Dominique Tessier; Hélène Rogniaux

doi:10.1093/bioinformatics/btab412

Oligator: a flexible interface to draw oligosaccharide structures and generate their theoretical tandem mass spectra

Bioinformatics. 2021 Nov 18;37(22):4261-4262. doi: 10.1093/bioinformatics/btab412.

Authors

Virginie Lollier^{1

2}, Mathieu Fanuel^{1

2}, David Ropartz^{1

2}, Dominique Tessier^{1

2}, Hélène Rogniaux^{1

2}

Affiliations

¹ INRAE, UR BIA, Nantes F-44316, France.
² INRAE, PROBE Research Infrastructure, BIBS Facility, Nantes F-44316, France.

PMID: 34050747
DOI: 10.1093/bioinformatics/btab412

Abstract

Summary: Oligator is software designed to assist scientists in their exploration of MS/MS experiments, especially for oligosaccharides bearing unreferenced chemical substitutions. Through a graphical interface, users have the total flexibility to build a candidate glycan structure and produce the corresponding theoretical MS/MS spectrum in accordance with the usual ion nomenclature. The structural information is saved using standard notations, in text format, which facilitates the capitalization and exchange of data as well as any other processing of the information.

Availability and implementation: Source code and user manual are freely available at https://github.com/vlollier/oligator.

Supplementary information: Supplementary data are available at Bioinformatics online.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Oligosaccharides
Polysaccharides
Software*
Tandem Mass Spectrometry*

Substances

Oligosaccharides
Polysaccharides