pyopenms

Provides a Python interface to OpenMS for mass spectrometry data analysis.

1|Updated Mar 12, 2026
One-click install
npx skills add https://github.com/yf8578/clawomics --skill pyopenms-yf8578
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: pyopenms
Source: https://github.com/yf8578/clawomics/tree/main/skills/pyopenms
Command: npx skills add https://github.com/yf8578/clawomics --skill pyopenms-yf8578

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes references (resource) components.

What problem does it solve?

This Skill provides a comprehensive platform for analyzing complex mass spectrometry data, enabling researchers to process raw spectra, identify peptides and proteins, and quantify metabolites.

Core Features & Use Cases

  • Data Processing: Read, write, and process various mass spectrometry file formats (mzML, mzXML, etc.).
  • Feature Detection: Identify and link chromatographic features for quantitative analysis.
  • Identification: Perform peptide and protein identification using integrated search engines and FDR control.
  • Metabolomics: Specialized workflows for untargeted metabolomics, including adduct detection and compound annotation.
  • Use Case: Analyze a proteomics dataset to identify and quantify thousands of proteins, then export the results for downstream statistical analysis.

Quick Start

Use the pyopenms skill to load the file 'sample.mzML' and print the number of spectra.

Frequently Asked Questions about pyopenms

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I analyze mass spectrometry data in Python for proteomics workflows?

You can analyze mass spectrometry data in Python using this interface to perform file I/O, peptide identification, and quantitative analysis on standard formats like mzML and idXML.

What is the best way to process mzML files for untargeted metabolomics feature detection?

The best way to process mzML files for metabolomics is using integrated signal processing workflows that detect chromatographic features, identify adducts, and annotate compounds directly from raw spectra.

Can I identify and quantify thousands of proteins from raw spectra without external search engines?

Yes, you can identify and quantify proteins using integrated search engines with FDR control, then export the quantitative results for downstream statistical analysis.

Does this Python library support reading and writing standard mass spectrometry formats like featureXML?

Yes, it supports reading and writing standard mass spectrometry formats including mzML, mzXML, idXML, and featureXML to build robust bioinformatics pipelines.

How do I link chromatographic features for quantitative analysis from mass spectrometry data?

You link chromatographic features by applying feature detection algorithms to raw mass spectrometry data, enabling accurate quantitation of peptides, proteins, and metabolites across samples.