Contents

= {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) 2006-2008, 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

2 entries across 2 versions & 1 rubygems

Version	Path
ms-in_silico-0.1.0	README
ms-in_silico-0.2.0	README