SpinSPJ: a novel NMR scripting system to implement artificial intelligence and advanced applications.

Journal: BMC bioinformatics
Published Date: Dec 7, 2021

Abstract

BACKGROUND: Software for nuclear magnetic resonance (NMR) spectrometers offer general functionality of instrument control and data processing; these applications are often developed with non-scripting languages. NMR users need to flexibly integrate rapidly developing NMR applications with emerging technologies. Scripting systems offer open environments for NMR users to write custom programs. However, existing scripting systems have limited capabilities for both extending the functionality of NMR software's non-script main program and using advanced native script libraries to support specialized application domains (e.g., biomacromolecules and metabolomics). Therefore, it is essential to design a novel scripting system to address both of these needs.

Authors

  • Zao Liu
    State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Center for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, 430071, People's Republic of China.
  • Zhiwei Chen
    School of Life Sciences, Shandong University of Technology, Zibo 255049, PR China.
  • Kan Song
    Zhongke-Niujin MR Tech Co. Ltd, Wuhan, 430075, People's Republic of China. songkan@qone-inst.com.

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