Literature DB >> 24530265

A standard format and a graphical user interface for spin system specification.

A G Biternas1, G T P Charnock2, Ilya Kuprov3.   

Abstract

We introduce a simple and general XML format for spin system description that is the result of extensive consultations within Magnetic Resonance community and unifies under one roof all major existing spin interaction specification conventions. The format is human-readable, easy to edit and easy to parse using standard XML libraries. We also describe a graphical user interface that was designed to facilitate construction and visualization of complicated spin systems. The interface is capable of generating input files for several popular spin dynamics simulation packages.
Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Entities:  

Keywords:  EPR; NMR; Simulation; SpinXML; Visualization

Year:  2014        PMID: 24530265     DOI: 10.1016/j.jmr.2014.01.004

Source DB:  PubMed          Journal:  J Magn Reson        ISSN: 1090-7807            Impact factor:   2.229


  2 in total

1.  TensorView: A software tool for displaying NMR tensors.

Authors:  Robert P Young; Corbin R Lewis; Chen Yang; Luther Wang; James K Harper; Leonard J Mueller
Journal:  Magn Reson Chem       Date:  2018-11-06       Impact factor: 2.447

2.  Large-scale NMR simulations in liquid state: A tutorial.

Authors:  Ilya Kuprov
Journal:  Magn Reson Chem       Date:  2017-11-27       Impact factor: 2.447

  2 in total

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