Ms-InSilico
An Mspire library supporting in-silico calculations for mass spec data.
Description
Ms-InSilico provides the following modules:
-
Ms::InSilico::Digester (protein digestion)
-
Ms::InSilico::Spectrum (peptide fragmentation)
Corresponding Tap tasks are also provided.
Usage
require 'ms/in_silico/digester'
require 'ms/in_silico/spectrum'
include Ms::InSilico
trypsin = Digester['Trypsin']
peptides = trypsin.digest('MIVIGRSIVHPYITNEYEPFAAEKQQILSIMAG')
# => [
# 'MIVIGR',
# 'SIVHPYITNEYEPFAAEK',
# 'QQILSIMAG']
spectrum = Spectrum.new(peptides[0])
spectrum.parent_ion_mass
# => 688.417442373391
spectrum.series('b')
# => [
# 132.047761058391,
# 245.131825038791,
# 344.200238954991,
# 457.284302935391,
# 514.305766658991,
# 670.406877687091]
Installation
Ms-InSilico is available as a gem on RubyForge. Use:
% gem install ms-in_silico
Info
Copyright © 2008-2009, Regents of the University of Colorado.
- Developer
- Support
-
CU Denver School of Medicine Deans Academic Enrichment Fund
- Licence