CcpNmr Analysis – A useful tool for organic chemistry nmr?

SeRMN seminar

  • Date: Thursday 13th February, 2014
  • Hour: 10 am
  • Location: SeRMN, Facultats de Ciències i Biociències, C2/-135
  • Speaker: Miquel Cabañas, SeRMN

CcpNmr Analysis is a graphics-based interactive NMR spectrum visualisation, resonance assignment and data analysis program developed by The Collaborative Computing Project for NMR. as part of the CcpNmr suite of programs. CcpNmr Analysis can be considered a platform for almost all the NMR data described by the CCPN data model and a place from which to interact with connected non-CCPN programs, for example those integrated in the Extend-NMR project. CcpNmr.

Aimed at macromolecular NMR, it could prove a useful tool for the assignment of nmr spectra of smaller compounds or reaction mixtures. The software features will be demonstrated at the seminar and its suitability for organic chemistry nmr will be discussed.

References

  • The CCPN data model for NMR spectroscopy: development of a software pipeline. Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED. Proteins. 2005, 59(4):687-696. DOI: 10.1002/prot.20449
  • The CCPN Metabolomics Project: a fast protocol for metabolite identification by 2D-NMR. Chignola F, Mari S, Stevens TJ, Fogh RH, Mannella V, Boucher W, Musco G. Bioinformatics. 2011, 27(6):885-886. DOI: 10.1093/bioinformatics/btr013
  • A software framework for analysing solid-state MAS NMR data. Stevens TJ, Fogh RH, Boucher W, Higman VA, Eisenmenger F, Bardiaux B, van Rossum BJ, Oschkinat H, Laue ED. J Biomol NMR. 2011, 51(4):437-447. DOI: 10.1007/s10858-011-9569-2

© 2014, Miquel. All rights reserved by the author(s) and Universitat Autonoma de Barcelona except for texts and images already copyrighted by third parties (e.g. journal publishers) and used here under the fair use provision.