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CarbBuilder: Software for building molecular models of complex oligo- and polysaccharide structures
Stockholm University, Faculty of Science, Department of Organic Chemistry.
Stockholm University, Faculty of Science, Department of Organic Chemistry.
Number of Authors: 3
2016 (English)In: Journal of Computational Chemistry, ISSN 0192-8651, E-ISSN 1096-987X, Vol. 37, no 22, 2098-2105 p.Article in journal (Refereed) Published
Abstract [en]

CarbBuilder is a portable software tool for producing three-dimensional molecular models of carbohydrates from the simple text specification of a primary structure. CarbBuilder can generate a wide variety of carbohydrate structures, ranging from monosaccharides to large, branched polysaccharides. Version 2.0 of the software, described in this article, supports monosaccharides of both mammalian and bacterial origin and a range of substituents for derivatization of individual sugar residues. This improved version has a sophisticated building algorithm to explore the range of possible conformations for a specified carbohydrate molecule. Illustrative examples of models of complex polysaccharides produced by CarbBuilder demonstrate the capabilities of the software. CarbBuilder is freely available under the Artistic License 2.0.

Place, publisher, year, edition, pages
2016. Vol. 37, no 22, 2098-2105 p.
Keyword [en]
carbohydrate, polysaccharide conformation, C, Albicans, 3D model, Shigella flexneri
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-133371DOI: 10.1002/jcc.24428ISI: 000379941300007PubMedID: 27317625OAI: oai:DiVA.org:su-133371DiVA: diva2:968071
Available from: 2016-09-12 Created: 2016-09-06 Last updated: 2016-09-12Bibliographically approved

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Ståhle, JonasWidmalm, Göran
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