IsoGen

IsoGen generates isotope distributions for protein, RNA, DNA, neutral-mass, and elemental-formula inputs. It returns a two-column NumPy array containing neutral mass and relative intensity.

import isogen

distribution = isogen.isodist(
    "ACDEFGHIK",
    type="PEPTIDE",
    isolen=64,
    method="FFT",
)

The first mass is the monoisotopic mass for sequence or elemental-formula input. Subsequent masses use a configurable isotope spacing: 1.0033 Da for peptides and formulas and 1.0027 Da for nucleic acids by default.

Features

• FFT, BRAIN polynomial-recurrence, and neural-network intensity calculations
• Neutral-mass, sequence, and elemental-formula input
• Protein, RNA, DNA, and ATOM mass axes
• Intact proteins and a, b, c, x, y, and z fragment ions
• Configurable RNA and DNA terminal chemistry
• A command-line interface for CSV output and example stick plots

!!! note “DNA intensity model” DNA sequence intensities currently use the RNA sequence model after thymine is mapped to uracil. The returned mass axis still uses the DNA-specific residue masses.

Continue with Getting started, or go directly to the API reference.

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