Articles | Volume 1, issue 1
https://doi.org/10.5194/mr-1-1-2020
https://doi.org/10.5194/mr-1-1-2020
Research article
 | 
14 Feb 2020
Research article |  | 14 Feb 2020

Paramagpy: software for fitting magnetic susceptibility tensors using paramagnetic effects measured in NMR spectra

Henry William Orton, Thomas Huber, and Gottfried Otting

Model code and software

Paramagpy source code H. W. Orton https://doi.org/10.5281/zenodo.3594568

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Short summary
Nuclear magnetic resonance is a technique that allows the measurement of the nanoscale distances between the atoms of a molecule. It is often relied upon for finding the structure of a molecule and how atoms are bonded, but measurements become inaccurate for large distances and therefore for large biological molecules. This research presents a new software for calculating the distances between nuclei and unpaired electrons which offers more accurate long-range distances in biological molecules.