Created
May 30, 2013 16:12
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A simple script that displays unique tryptic peptides for proteins retrieved by uniprot accession number.
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#!/usr/bin/env ruby | |
require 'open-uri' | |
require 'mspire/digester' # gem install mspire | |
require 'bio' | |
require 'set' | |
accessions = ARGV[0,2] | |
missed_cleavages = ARGV[2].to_i | |
abort 'usage: acc1 acc2 [missed_cleavages]' unless accessions.size == 2 | |
puts "Missed cleavages: #{missed_cleavages}" | |
base_uri = 'http://www.uniprot.org/uniprot/' | |
ext = '.fasta' | |
Protein = Struct.new(:acc, :seq, :peptides) | |
trypsin = Mspire::Digester[:trypsin] | |
prots = accessions.map do |acc| | |
uri = base_uri + acc + ext | |
prot = Protein.new(acc, Bio::FastaFormat.new( open(uri) {|io| io.read } ).seq ) | |
prot.peptides = trypsin.digest(prot.seq, missed_cleavages).to_set | |
prot | |
end | |
[:first, :last].each do |focus| | |
prot = prots.send(focus) | |
other = prots.send( (focus == :first) ? :last : :first ) | |
uniq = (prot.peptides - other.peptides).to_a | |
puts "Unique to #{prot.acc} (#{uniq.size} of #{prot.peptides.size}):" | |
puts uniq.join(" ") | |
puts | |
if focus == :last | |
shared = (prot.peptides & other.peptides).to_a | |
puts "Shared (#{shared.size}): " | |
puts shared.join(" ") | |
puts | |
end | |
end |
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