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= {Ms-InSilico}[http://mspire.rubyforge.org/projects/ms-in_silico]
An {Mspire}[http://mspire.rubyforge.org] 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[http://tap.rubyforge.org] tasks are also provided.
* Lighthouse[http://bahuvrihi.lighthouseapp.com/projects/16692-mspire/tickets]
* Github[http://github.com/bahuvrihi/ms-in_silico/tree/master]
* {Google Group}[http://groups.google.com/group/mspire-forum]
== 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[http://rubyforge.org/projects/mspire]. Use:
% gem install ms-in_silico
== Info
Copyright (c) 2008-2009, Regents of the University of Colorado.
Developer:: {Simon Chiang}[http://bahuvrihi.wordpress.com], {Biomolecular Structure Program}[http://biomol.uchsc.edu/], {Hansen Lab}[http://hsc-proteomics.uchsc.edu/hansenlab/]
Support:: CU Denver School of Medicine Deans Academic Enrichment Fund
Licence:: {MIT-Style}[link:files/MIT-LICENSE.html]
Version data entries
7 entries across 7 versions & 1 rubygems