Function rustyms::building_blocks

pub fn building_blocks(
    fixed: &[Modification],
    variable: &[Modification]
) -> (Vec<(SequenceElement, Mass)>, Vec<(SequenceElement, Mass)>, Vec<(SequenceElement, Mass)>)

Get the possible building blocks for sequences based on the given modifications. Useful for any automated sequence generation, like isobaric set generation or de novo sequencing. The result is for each location (N term, center, C term) the list of all possible building blocks with its mass, sorted on mass.

Panics

Panics if any of the modifications does not have a defined mass.