CarbBuilder: Software for Building Molecular Models of Complex Oligo- and Polysaccharide Structures
Kuttel, Michelle M., Jonas Stahle and Goran Widmalm (2016) CarbBuilder: Software for Building Molecular Models of Complex Oligo- and Polysaccharide Structures. Journal of Computational Chemistry 37(22):2098-2105.
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.
|EPrint Type:||Journal (Paginated)|
|Subjects:||D Software: D.2 SOFTWARE ENGINEERING|
J Computer Applications: J.2 PHYSICAL SCIENCES AND ENGINEERING
I Computing Methodologies: I.6 SIMULATION AND MODELING
|Deposited By:||Kuttel, Michelle|
|Deposited On:||28 July 2016|