Analyze LC-MS/MS mass spectrometry data via Python bindings to OpenMS.
npx skills add https://github.com/ovachiever/droid-tings --skill pyopenms-ovachiever
Please help me install this Agent Skill. Skill: pyopenms Source: https://github.com/ovachiever/droid-tings/tree/main/skills/pyopenms Command: npx skills add https://github.com/ovachiever/droid-tings --skill pyopenms-ovachiever
PyOpenMS provides Python bindings to the OpenMS library for LC-MS/MS data analysis, enabling file I/O, signal processing, feature detection, peptide/protein identification, and quantitative workflows.
Read mzML data, access spectra, and extract features with built-in tools.
High-intent search queries and answers about installing and using this skill.
PyOpenMS enables loading mass spectrometry data from mzML, mzXML, and other standard formats directly in Python. Access spectra, chromatograms, and feature maps via MSExperiment and MSSpectrum objects, then apply signal processing like smoothing and centroiding using built-in algorithms.
PyOpenMS handles input formats (mzML, mzXML, FASTA, TraML) and output formats (mzTab, idXML, mzIdentML, pepXML, protXML) commonly used in proteomics. This broad format support integrates with standard identification and quantification pipelines across labs.
PyOpenMS provides feature detection, peak picking, and peak handling algorithms configured through parameter objects. Extract ion features from raw spectra and generate feature maps for downstream peptide identification and quantification workflows.
Yes, PyOpenMS supports both LC-MS/MS proteomics and metabolomics workflows. The same data ingestion, signal processing, and feature detection capabilities apply across domains, with flexible parameter configuration for different experiment types.
PyOpenMS integrates peptide and protein identification into automated workflows via Python bindings. Configure analysis algorithms with parameter objects, load identification results from standard formats, and quantify features across samples in a single scripted pipeline.
PyOpenMS is a Python package that provides bindings to the OpenMS library. Installation via pip includes the required OpenMS dependency, so you can begin mass spectrometry analysis without separate library setup.
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