scripts/convert_pa.rb


1
2
3
4
5
6
7
8
9
10
11
12

#!/usr/bin/env ruby
require_relative '../../lazar/lib/lazar.rb'

while STDIN.gets
  tokens = $_.chomp.encode("UTF-8", {:invalid => :replace, :undef => :replace}).split(";")
  begin
    c = OpenTox::Compound.from_smiles tokens.last
    puts "#{tokens[0]},#{c.smiles}"
  rescue #=> e
    STDERR.puts $_
  end
end