EDAM annotations for QCxMS and xTB tools #560
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hechth
reviewed
Jul 25, 2024
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Update wrapper versions (5b18854) |
hechth
approved these changes
Jul 25, 2024
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Updated operation number for qcxms tools to "opeation_3860" (Analysis -> Spectral analysis -> Spectrum calculation)
For xtb tool, added topic_332 and operation_0297.
closes #559