Analyze LC-MS mass spectrometry data with pyopenms for proteomics and metabolomics.
npx skills add https://github.com/gabrielvuksani/wotann --skill pyopenms-gabrielvuksani
Please help me install this Agent Skill. Skill: pyopenms Source: https://github.com/gabrielvuksani/wotann/tree/main/skills/scientific/pyopenms Command: npx skills add https://github.com/gabrielvuksani/wotann --skill pyopenms-gabrielvuksani
PyOpenMS streamlines computational mass spectrometry analysis by turning raw LC-MS and identification outputs into actionable proteomics and metabolomics results without manual format handling.
Process a file by loading an mzML experiment, detecting features, and saving them as features.featureXML using PyOpenMS.
High-intent search queries and answers about installing and using this skill.
Process LC-MS mass spectrometry data by loading supported raw formats like mzML, applying signal preprocessing, detecting chromatographic features, and running peptide identification with FDR filtering.
Yes, untargeted metabolomics feature detection handles small molecules by performing adduct detection, RT alignment, and consensus quantification to generate consensus features.
Supported mass spectrometry formats include mzML and mzXML for raw data, plus idXML, featureXML, and consensusXML for identification and feature outputs.
Signal processing applies smoothing, peak picking, centroiding, filtering, and normalization to prepare mass spectra for downstream proteomics and metabolomics analysis.
Yes, peptide identification post-processing and FDR control require Python bindings to OpenMS via pyopenms, utilizing data model objects like MSExperiment and FeatureMap.
Peptide and protein identifications are processed with FDR control and protein inference using OpenMS identification containers and algorithm parameter configuration.
silversteinConvert LC-MS raw files into features and identifications using PyOpenMS.
AlterLab-IEUProcess LC-MS/MS proteomics data with PyOpenMS for feature detection and identification.
jaechang-hitsProcess mass spectrometry data with PyOpenMS for proteomics and metabolomics.
SologaProcess LC-MS/MS proteomics and metabolomics data through a Python interface to OpenMS.
