Dear colleague,

We are in the process of applying for renewed EPSRC funding for the Collaborative Computing Project in NMR Crystallography (www.ccpnc.ac.uk), which supports the development of software tools for NMR crystallography and networking activities, such as the annual CASTEP training workshops.

Please take this opportunity to tell us about any “good news” stories that might be helpful in this bid. Examples would be where CCP-NC tools (such as the MagresView visualiser or the MagresPython/Soprano tools) have been critical to research outputs, such as papers or grant funding. Do check that any papers that have benefitted from CCP-NC activities are recorded in our publications list (https://www.ccpnc.ac.uk/output/publications); if not, please use the contact us form at the bottom of the page to provide information (a DOI is sufficient). 

Do also use this opportunity to tell us about your experience of CCP-NC activities / software tools, including anything that we could be doing better. Key themes of the new proposal will be: dealing with disordered and paramagnetic systems; maintenance and integration of the CCP-NC tools; modernising of abandoned, but useful, software; developing our repository of calculated NMR parameters and its integration with wider database initiatives; improving automation and reliability of spectral assignments. This input will help us adjust the proposal and provide concrete examples of the impact of our activities. 

Please send me ([log in to unmask]) any contributions by Mon 30 Sep, as the application timescales are very short. 

With thanks,

Paul Hodgkinson
Sharon Ashbrook
Andrew  Morris
Jonathan Yates
[CCPNC Working Group]

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