title: A standard format and a graphical user interface for spin system specification.
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.
authors: School of Chemistry, University of Southampton, Highfield Campus, Southampton SO17 1BJ, UK.
authors: A G
authors: AG
authors: Biternas
authors: Department of Computer Science, University of Oxford, Parks Road, Oxford OX1 3QD, UK.
authors: G T P
authors: GT
authors: Charnock
authors: School of Chemistry, University of Southampton, Highfield Campus, Southampton SO17 1BJ, UK. Electronic address: i.kuprov@soton.ac.uk.
authors: Ilya
authors: I
authors: Kuprov
keywords: EPR; NMR; Simulation; SpinXML; Visualization