CarbBuilder: software for building molecular models of complex oligo- and polysaccharide structures

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dc.contributor.authorKuttel, Michelle M
dc.contributor.authorStahle, Jonas
dc.contributor.authorWidmalm, Goran
dc.date.accessioned2016-08-15T12:40:35Z
dc.date.available2016-08-15T12:40:35Z
dc.date.issued2016
dc.date.updated2016-08-12T12:57:02Z
dc.description.abstractCarbBuilder is a portable software tool for producing threedimensional 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.en_ZA
dc.identifierhttp://dx.doi.org/DOI: 10.1002/jcc.24428
dc.identifier.apacitationKuttel, M. M., Stahle, J., & Widmalm, G. (2016). CarbBuilder: software for building molecular models of complex oligo- and polysaccharide structures. <i>Journal of Computational Chemistry</i>, http://hdl.handle.net/11427/21246en_ZA
dc.identifier.chicagocitationKuttel, Michelle M, Jonas Stahle, and Goran Widmalm "CarbBuilder: software for building molecular models of complex oligo- and polysaccharide structures." <i>Journal of Computational Chemistry</i> (2016) http://hdl.handle.net/11427/21246en_ZA
dc.identifier.citationKuttel, M. M., Ståhle, J., & Widmalm, G. (2016). CarbBuilder: Software for building molecular models of complex oligo‐and polysaccharide structures. Journal of Computational Chemistry, 37(22), 2098-2105.en_ZA
dc.identifier.issn0192-8651en_ZA
dc.identifier.ris TY - Journal Article AU - Kuttel, Michelle M AU - Stahle, Jonas AU - Widmalm, Goran AB - CarbBuilder is a portable software tool for producing threedimensional 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. DA - 2016 DB - OpenUCT DP - University of Cape Town J1 - Journal of Computational Chemistry LK - https://open.uct.ac.za PB - University of Cape Town PY - 2016 SM - 0192-8651 T1 - CarbBuilder: software for building molecular models of complex oligo- and polysaccharide structures TI - CarbBuilder: software for building molecular models of complex oligo- and polysaccharide structures UR - http://hdl.handle.net/11427/21246 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/21246
dc.identifier.vancouvercitationKuttel MM, Stahle J, Widmalm G. CarbBuilder: software for building molecular models of complex oligo- and polysaccharide structures. Journal of Computational Chemistry. 2016; http://hdl.handle.net/11427/21246.en_ZA
dc.languageengen_ZA
dc.publisherWileyen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.sourceJournal of Computational Chemistryen_ZA
dc.source.urihttp://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1096-987X
dc.titleCarbBuilder: software for building molecular models of complex oligo- and polysaccharide structuresen_ZA
dc.typeJournal Articleen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceArticleen_ZA
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