rustms::algorithm::peptide

Function calculate_peptide_mono_isotopic_mass

Source 
pub fn calculate_peptide_mono_isotopic_mass(
    peptide_sequence: &PeptideSequence,
) -> f64
Expand description

calculate the monoisotopic mass of a peptide sequence

Arguments:

  • sequence - peptide sequence

Returns:

  • mass - monoisotopic mass of the peptide

ยงExamples

use rustms::algorithm::peptide::calculate_peptide_mono_isotopic_mass;
use rustms::proteomics::peptide::PeptideSequence;

let peptide_sequence = PeptideSequence::new("PEPTIDEH".to_string(), Some(1));
let mass = calculate_peptide_mono_isotopic_mass(&peptide_sequence);
let mass_quantized = (mass * 1e6).round() as i32;
assert_eq!(mass_quantized, 936418877);