Collaborative Computational Project for NMR Crystallography (CCP-NC) MagresView 2.0 Library

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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.

To use this resource go to the resource landing page.

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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.

Keywords and Subjects

Magresview
MagresView2
SSNMR
NMR
EFG
Magnetic Shielding
Magres