mscore 0.4.1

A Rust library providing core operations for computational mass spectrometry proteomics.
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use mscore::data::smiles::parse_peptide;

fn main() {
    let input = "[]-AC[U:4]DE[UNIMOD:35]F-[U:7]";
    match parse_peptide(input) {
        Ok(peptide) => println!("{:#?}", peptide),
        Err(e) => println!("Error: {}", e),
    }
}