Function find_unimod_patterns

pub fn find_unimod_patterns(input_string: &str) -> (String, Vec<f64>)

Convert a peptide sequence with UNIMOD annotations to a tuple of plain sequence and for each position in the sequence, the mass of the modification at that position (0 if no modification), which is the representation of sequence nad modifications used by SAGE

Arguments

• input_string - a string slice of the peptide sequence

Returns

• (String, Vec<f64>) - a tuple of the plain sequence and a vector of f64 representing the mass of the modification at each position in the sequence

Example

use rustms::chemistry::utility::find_unimod_patterns;

let sequence = "PEPTIDE[UNIMOD:1]H";
let (stripped_sequence, mods) = find_unimod_patterns(sequence);
assert_eq!(stripped_sequence, "PEPTIDEH");
assert_eq!(mods, vec![0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.010565, 0.0]);