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.
Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:
skills use pyopenms-mass-spectrometry