Ms-Unimod

An Mspire library for utilizing Unimod.

Description

Ms-Unimod allows easy setup of a Unimod database (using Sqlite) that can be used to calculate the masses of peptides with modifications.

First generate the Unimod database:

% tap generate unimod_db

Then use the pepmass task to calculate a peptide mass, with or without n- or c-term modifications:

% tap run -- pepmass :RPPGFSPFR: --: dump 
% tap run -- pepmass Acetyl:RPPGFSPFR:Hydroxyl% --: dump

Ms-Unimod is available as a gem on RubyForge. Use:

% gem install ms-unimod