CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

By S. P. Skinner, Rasmus H. Fogh, Wayne Boucher, T. J. Ragan, Luca G. Mureddu, Geerten W. Vuister. Journal of Biomolecular NMR, 2016

426 citations recorded by the source corpus.

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

Subfields: Nuclear and High Energy Physics, Radiology, Nuclear Medicine and Imaging, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/f76d68d57662d0cb3e524e52393eaa900180f5c4

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Radiology, Nuclear Medicine and Imaging

1. Fred H. Gage
2. Wei Deng

In Spectroscopy

1. K. Wilson
2. Fred H. Gage
3. Wei Deng

Citations in the corpus

• NMRbox: A Resource for Biomolecular NMR Computation. (2017, background): “CCPN (5,6) is a long-running European collaborative project to link new and existing NMR software via a common data standard.”
• Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis (2020, methodology): “All spectra were recorded on a Varian Inova 750 MHz spectrometer and the data were processed by NMRPipe (Delaglio et al., 1995) and analysed using CCPNMR (Skinner et al., 2016).”