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

A. G. Biternas; G. T.P. Charnock; Ilya Kuprov

doi:10.1016/j.jmr.2014.01.004

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

A. G. Biternas, G. T.P. Charnock, Ilya Kuprov

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	124-131
Number of pages	8
Journal	JOURNAL OF MAGNETIC RESONANCE
Volume	240
DOIs	https://doi.org/10.1016/j.jmr.2014.01.004
State	Published - Mar 2014
Externally published	Yes

All Science Journal Classification (ASJC) codes

Biophysics
Biochemistry
Nuclear and High Energy Physics
Condensed Matter Physics

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10.1016/j.jmr.2014.01.004

Cite this

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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.",

author = "Biternas, {A. G.} and Charnock, {G. T.P.} and Ilya Kuprov",

year = "2014",

month = mar,

doi = "10.1016/j.jmr.2014.01.004",

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AU - Charnock, G. T.P.

AU - Kuprov, Ilya

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AB - 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.

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DO - 10.1016/j.jmr.2014.01.004

M3 - مقالة

SN - 1090-7807

VL - 240

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JO - JOURNAL OF MAGNETIC RESONANCE

JF - JOURNAL OF MAGNETIC RESONANCE

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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