CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

• DOI: 10.1007/s10858-016-0060-y
• Publication Date: 2016-09-23T07:11:41Z
• Authors: Simon P. Skinner; Rasmus H. Fogh; Wayne Boucher; Timothy J. Ragan; Luca G. Mureddu; Geerten W. Vuister
• Keywords: 0301 basic medicine; Molecular Structure; Statistics as Topic; Data analysis; Biochemistry; Assignment; NMR; Article; Workflow; User-Computer Interface; 03 medical and health sciences; CCPN; Nuclear Magnetic Resonance, Biomolecular; Spectroscopy; Software; Python

NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both structural- and functional studies. However, in practice complexity has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, latest software release from Collaborative Computational Project NMR, all aspects data analysis, including liquid- solid-state data. This been designed to be simple, flexible, aims ensure that routine tasks can performed a straightforward manner. We have according modern engineering principles leveraged capabilities graphics libraries simplify variety tasks. describe process backbone assignment as example flexibility simplicity implementing workflows, well toolkit used create necessary workflow. The package downloaded www.ccpn.ac.uk/v3-software/downloads freely available non-profit organisations.