| Literature DB >> 24530265 |
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.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