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Calculate the mass of the singly charged monoisotopic (or not) molecular ion of for given peptide.

Usage

calculate_MHP(Sequence, mono = FALSE)

Arguments

Sequence

sequence of the peptide (string) or vector of sequences. Each letter of the sequence of the peptide represents different amino acid (three letter representation not allowed)

mono

logical value to determine if the mass should be monoisotopic or not. FALSE by default

Value

vector of numeric MHP values of provided Sequences

Details

This function calculates the mass of the singly charged monoisotopic (or not) molecular ion for given peptide. It is the sum of the residue masses plus the masses of the terminationg group (H and OH). The source of the masses can be found here: http://www.matrixscience.com/help/aa_help.html. Keep in mind that this function returns the value of an unmodified peptide.

Examples

calculate_MHP("CHERICHERILADY")
#> [1] 1757.99
calculate_MHP("CHERICHERILADY", mono = TRUE)
#> [1] 1756.814