Software of Interest to Peptide Scientists


Mass Spectrum Calculator free software for Mac or Windows (Ryan Spencer)


Mass Spectrum Calculator helps identify and analyze mass spectral peaks of peptides and peptoids and also helps build molecular models in pdb file format that can be visualized using PyMOL or other molecular modeling/graphics software. This program calculates the molecular formula, exact mass, average mass, residue count, and residue repeats from an input sequence. Sequences can be built either using the 'Sequence Builder' window or entered from a text file. Sequences may be saved and loaded at a later time. The program also compares theoretical ion peaks of multiple mass spec adducts to observed mass spec data and reports back either matches, deletion or addition products, and/or double addition/double addition products. Finally the program can generate a "crude" alpha-helix or beta-sheet structure of an input sequence in a PDB format.


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Peptide Ion Calculator free App for iPhone, iPad, and Android (Patrick Salveson)


Peptide Ion Calculator helps peptide chemists analyze mass spectrometric data. This mobile app lets users build sequences of amino acids, and query experimentally observed ions against a list of theoretical ions, allowing a quick and easy way to assess the success of peptide synthesis.


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