MS-Protein-Adduct-Identification

Identification of protein adducts in deconvoluted mass spectrometry data by matching experimental peak distributions with potential isotope patterns.

Getting Started

To access the web app, run the src/app.py file.

python src/app.py

Otherwise, the search can be run directly using src/binding_site_search.py (changing file directories accordingly).

python src/binding_site_search.py

Note that deconvoluted spectrum will be required as input (for the bound MS csv file).

Built With

• HTML/JS/CSS
• Flask
• PyOpenMS
• OR-Tools
• SimilarityMeasures

Contact Information

If you encounter any problems in using the code, please open an issue in this repository.