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

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MagresView provides an online interface for the Collaborative Computational Project for NMR Crystallography (CCP-NC). This visualisation tool enables crystal structure and NMR tensor visualisation from .magres files. SSNMR parameters like magnetic shielding and electric field gradient can be displayed 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
SSNMR
NMR
EFG
Magnetic Shielding
Magres