PA's updated

2 files changed, 6 insertions, 5 deletions

diff --git a/scripts/carcinogenicity2csv.rb b/scripts/carcinogenicity2csv.rb
index 9501bdc..bed0907 100755
--- a/scripts/carcinogenicity2csv.rb
+++ b/scripts/carcinogenicity2csv.rb
@@ -1,5 +1,5 @@
 #!/usr/bin/env ruby
-require_relative '../../lazar/lib/lazar.rb'
+#require_relative '../../lazar/lib/lazar.rb'
 
 i = 0
 activities = []
diff --git a/scripts/convert_pa.rb b/scripts/convert_pa.rb
index 00b4831..779aded 100755
--- a/scripts/convert_pa.rb
+++ b/scripts/convert_pa.rb
@@ -1,11 +1,12 @@
 #!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar.rb'
 
 while STDIN.gets
   tokens = $_.chomp.encode("UTF-8", {:invalid => :replace, :undef => :replace}).split(";")
   begin
-    #puts "\"#{tokens[0]}\",\"#{tokens.last}\"" if tokens[3]
-    puts "#{tokens[0]},#{tokens.last}" if tokens[3]
-    #puts tokens.last if tokens[3]
-  rescue
+    c = OpenTox::Compound.from_smiles tokens.last
+    puts "#{tokens[0]},#{c.smiles}"
+  rescue #=> e
+    STDERR.puts $_
   end
 end