Kuttel, Michelle M. and Stahle, Jonas and Widmalm, Goran (2016) CarbBuilder: Software for Building Molecular Models of Complex Oligo- and Polysaccharide Structures, Journal of Computational Chemistry, 37, 2098-2105, Wiley.
![[img]](http://pubs.cs.uct.ac.za/style/images/fileicons/application_pdf.png) |
PDF
MK_JS_GW_JCC2016_preprint.pdf Download (6MB) |
Abstract
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 from https://people.cs.uct.ac.za/~mkuttel/Downloads.html.
| Item Type: | Journal article (paginated) |
|---|---|
| Additional Information: | https://people.cs.uct.ac.za/~mkuttel/Downloads.html |
| Uncontrolled Keywords: | CarbBuilder carbohydrate molecular modelling polysaccharide conformation C. Albicans 3D model Shigella flexneri |
| Subjects: | Software and its engineering > Software creation and management Applied computing > Physical sciences and engineering Computing methodologies > Modeling and simulation |
| Date Deposited: | 28 Jul 2016 |
| Last Modified: | 10 Oct 2019 15:32 |
| URI: | http://pubs.cs.uct.ac.za/id/eprint/1080 |
Actions (login required)
 |
View Item |