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About

Information about CcpNmr Analysis V3

Software

CcpNmr Analysis Version 3 is a modern, fully reworked und updated version of CcpNmr Analysis catering to the biomolecular NMR community. It is split into four different modules: AnalysisAssign, AnalysisScreen, AnalysisMetabolomics and AnalysisStructure (still under development). In addition, the V3 CCPN software package includes CcpNmr ChemBuild.

AnalysisAssign forms our basic package which underlies all the other packages. It includes 1D and ND spectrum visualisation and printing, protein assignment routines and chemical shift mapping tools. It also includes interactive phasing (and can thus function as an alternative to NmrDraw).

AnalysisScreen is geared towards screening applications and has the ability for users to design their own workflow pipes for spectrum processing (e.g. baseline correction, phasing, referencing) analysis (e.g. peak picking, difference spectra) and hit identification. It also includes tools for mixture generation and analysis.

AnalysisMetabolomics includes the ability to design workflow pipes for spectrum processing and analysis as well as principle component analysis tools.

AnalysisStructure is still in development. It will include tools for macromolecular structure determination such as restraint generation, violation analysis with interfacing to molecular viewers and structure validation.

ChemBuild is a graphical tool to construct chemical compound definitions for NMR. While there are many chemical structure drawing packages available ChemBuild was especially created to handle concepts such as protonation variants and magnetic equivalence which are required for NMR resonance assignment. Several different chemical file formats are supported, including PDB, .mol and .mol2, as well as being able to read and write CCPN chemical component XML files, which store NMR-aware information.

Download

Please go to our Downloads page to download Mac, Linux and Windows10 versions of CcpNmr Analysis V3.

Licence

CcpNmrAnalysis Version 3 is free to use for non-profit users via our non-profit licence. For-profit users should be please refer to our Industry pages for details about purchasing a commercial licence.

Documentation

Use of the software is covered by our video tutorials, also available via our CcpNmr YouTube channel. We suggest that new users start by following our tutorials, in particular the Beginner Tutorial. We have downloadable example data with which to do the tutorials.

Developers and those writing their own macros may also be interested in our In-program Documentation detailing the main classes and methods available.

Feedback

For questions, queries and bug reports, please use our forum. You can also contact us at ccpnmr3@gmail.com.

Reference

Please cite the software using the following reference:

Skinner, S.P., Fogh, R.H., Boucher, W., Ragan, T.J., Mureddu, L.G., & Vuister, G.W.
CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis
J.Biomol.Nmr (2016), 66, 111-124, http://doi.org/10.1007/s10858-016-0060-y