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

Authors :
Mathieu Fanuel
David Ropartz
Hélène Rogniaux
Dominique Tessier
Virginie Lollier
Unité de recherche sur les Biopolymères, Interactions Assemblages (BIA)
Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)
INRA Plateforme BIBS
Unité de Recherche Biopolymères, Interactions, Assemblages
INRAE
Source :
Bioinformatics, Bioinformatics, Oxford University Press (OUP), 2021, 1 (2), pp.btab412. ⟨10.1093/bioinformatics/btab412⟩
Publication Year :
2021
Publisher :
Oxford University Press (OUP), 2021.

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.

Details

ISSN :
13674811 and 13674803
Volume :
37
Database :
OpenAIRE
Journal :
Bioinformatics
Accession number :
edsair.doi.dedup.....bd75f10d540741e7f84fbe6449dd566f
Full Text :
https://doi.org/10.1093/bioinformatics/btab412