10000 NMReDATA Initiative · GitHub
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@NMReDATAInitiative

NMReDATA Initiative

Initiative to define a format for the NMR data extracted from NMR spectra of organic chemical compounds

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  1. javatools javatools Public

    Java programs for the NMReDATA format

    Java 3 3

  2. Mnova_export_script Mnova_export_script Public

    This script, based on existing Mnova script was developped by Damien Jeannerat

    Qt Script 1 2

  3. NMReDATAInitiative.github.io NMReDATAInitiative.github.io Public

    Main NMReDATA web site

    SCSS 1 1

  4. Mnova_assignment_files Mnova_assignment_files Public

    Set of mnova files for use to test NMReDATA generation

    1

  5. LSDnmredata LSDnmredata Public

    Extension for LSD to use NMReDATA files

    Shell 1

  6. ExtractionChemicalStructures ExtractionChemicalStructures Public

    Extraction and visualisation of 2D and 3D chemical structures

    JavaScript 1

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