NMR Data Analysis Software (CCPN)
The Collaborative Computational Project for NMR (CCPN) is an international consortium of 28 partners which is working to provide the tools and knowledge to maximise the impact of the biological NMR studies. CCPN is chaired by Professor Geerten Vuister. The CCPN software facilitates data analysis and software integration, and the project actively promotes the exchange of knowledge, provides training and supports best practices in the NMR community.
The latest release of the CCPN software package, Analysis-V3, presents a complete write of the entire code-base. The programs now provide a fast and smooth interface with drag-and-drop style operations and two-key shortcut interactions and easy data import and export, including .xlsx/.xls spreadsheet files that can contain any meta-data, such as chemical properties, including SMILES (Simplified molecular-input line-entry system). The software natively reads all common NMR data formats, including Bruker, Agilent, NmrPipe and ucsf formats and is fully NEF compatible.
The complexities in code and data structure are encapsulated under a layer of wrapper code, which enables users to write extensions to the software very quickly and simply. In addition, there is direct access to extensive scientific libraries, such PySci, Scikit-learn, which greatly facilitate data analysis using modern advanced technologies, such as machine-learning.