Collaborative Computational Project for NMR Crystallography (CCP-NC) MagresView 2.0 Library
A tool to visualize predicted NMR parameters in an intuitive, graphically accessible way and convert these parameters into input files for the most common NMR simulation programs. SSNMR parameters like magnetic shielding and electric field gradient can be visually represented as scaled ellipsoids super-imposed on the crystal structure for visualisation.
This resource is part of the Collaborative Computational Project for NMR Crystallography (CCP-NC) resource theme.
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Open Access
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http://github.com/CCP-NC/magresview-2/issues
Citation
Please cite: Sturniolo, S.; Green, T. F. G.; Hanson, R. M.; Zilka, M.; Refson, K.; Hodgkinson, P.; Brown, S. P.; Yates, J. R. Visualization and Processing of Computed Solid-State NMR Parameters: MagresView and MagresPython. Solid State Nuclear Magnetic Resonance, 2016, 78, 64-70. DOI https://doi.org/10.1016/j.ssnmr.2016.05.004.