CASPER

Please cite as:
Structure Analysis of Glycans by NMR Chemical Shift Prediction
M. Lundborg and G. Widmalm; Anal. Chem. 2011, 83, 1514-1517. Doi: 10.1021/ac1032534.
Supporting information

Sequence determination of oligosaccharides and regular polysaccharides using NMR spectroscopy and a novel Web-based version of the computer program CASPER
P.-E. Jansson, R. Stenutz and G. Widmalm; Carbohydr. Res. 2006, 341, 1003-10; PubMed 16564037

URL: http:/www.casper.organ.su.se/casper/

• Help using CASPER. See also the manual.
• Sequence Determination
  Determine the sequence of a poly- or oligo-saccharide from NMR chemical shifts. Results from methylation and sugar analysis can improve the results and shorten the calculation times and should therefore be submitted if available.
  Structure determinations cannot run for more than 8 minutes to reduce the server load. Longer runs can be performed on request.
  Example 1 - a (1->6) glucan
  Example 2 - a Shigella LPS
  Example 3 - a xylose containing N-glycan
  
• Chemical Shift Calculations
  Build a structure, simulate its ¹³C- and ¹H-NMR spectra, and, optionally assign experimental spectra.
  Example 1 - Assignment of the ¹³C-spectrum of methyl b-cellobioside.
• Component Analysis
  Determine the components, and their absolute configuration, of a butanolysed poly- or oligosaccharide.
  See Automatic Structure Determination of Regular Polysaccharides Based Solely on NMR Spectroscopy. M. Lundborg, C. Fontana, G. Widmalm. Biomacromolecules, 2011, 12, 3851-3855.
• List of CASPER related references.

Comments etc.

Suggestions are welcome. Please send them to:
jstahle@organ.su.se

Graphical representation of structures in CASPER is made using GlycanBuilder.
The GlycanBuilder: a fast, intuitive and flexible software tool for building and displaying glycan structures
A.Ceroni, A.Dell and S.M.Haslam; Source Code for Biology and Medicine, 2007,2:3

3D structures generated by CarbBuilder.
CarbBuilder: an adjustable tool for building 3D molecular structures of carbohydrates for molecular simulation.
Y. Mao, M. Lundborg, G. Widmalm, M. Kuttel; In Proceedings 7th IEEE International Conference on e-Science, Stockholm, Sweden.