pyopenms-mass-spectrometry
Mass spectrometry data processing with PyOpenMS. Use for LC-MS/MS proteomics and metabolomics workflows — mzML/mzXML file I/O, signal processing (smoothing, peak picking, centroiding), feature detection and linking across samples, peptide/protein identification with FDR control, untargeted metabolomics pipelines. For simple spectral matching and metabolite ID, use matchms instead.
Installation and usage
Mass spectrometry data processing with PyOpenMS. Use for LC-MS/MS proteomics and metabolomics workflows — mzML/mzXML file I/O, signal processing (smoothing, peak picking, centroiding), feature detection and linking across samples, peptide/protein identification with FDR control, untargeted metabolomics pipelines. For simple spectral matching and metabolite ID, use matchms instead.
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use pyopenms-mass-spectrometry