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DrawGlycan-SNFG & gpAnnotate: Rendering glycans and annotating glycopeptide mass spectra
Kai Cheng1, Gabrielle Pawlowski1, Xinheng Yu1
1Department of Chemical & Biological Engineering, and Clinical and Translational Research Center, University at Buffalo, The State University of New York, Buffalo, NY, USA.
Bioinformatics (Oxford, England)
|November 12, 2019
Summary
DrawGlycan-SNFG version 2 is an open-source program for creating Symbol Nomenclature For Glycans (SNFG) drawings from IUPAC-condensed inputs. It supports diverse glycan modifications and integrates with glycoinformatics tools for mass spectrometry applications.
Area of Science:
- Carbohydrate Chemistry
- Glycoinformatics
- Bioinformatics
Background:
- Glycan structures are complex and require standardized representation for effective analysis.
- Existing tools for glycan drawing may lack comprehensive support for modifications and integration.
Purpose of the Study:
- To introduce DrawGlycan-SNFG version 2, an enhanced open-source software for generating Symbol Nomenclature For Glycans (SNFG) diagrams.
- To provide a versatile tool for visualizing diverse glycan structures and modifications.
Main Methods:
- The program accepts International Union of Pure & Applied Chemistry (IUPAC)-condensed input formats.
- It offers extensive options for displaying various glycan and peptide modifications, including bond breakages, adducts, and repeat structures.
- DrawGlycan-SNFG was integrated into gpAnnotate for scoring and annotating MS/MS glycopeptide spectra.
Main Results:
- DrawGlycan-SNFG (version 2) successfully renders SNFG drawings from IUPAC-condensed inputs.
- The software supports a wide array of glycan and peptide modifications, enhancing visualization capabilities.
- Integration with gpAnnotate demonstrates its utility in glycomics and glycoproteomics mass spectrometry.
Conclusions:
- DrawGlycan-SNFG version 2 is a powerful, flexible, and open-source tool for glycan structure representation.
- Its integration capabilities make it valuable for glycoinformatics pipelines, particularly in mass spectrometry-based applications.
- The software facilitates standardized and detailed visualization of complex glycans.
