From f93333d7f5df30875eae9135f4b5e65a98d923b6 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Fri, 31 Jul 2015 19:25:13 +0200
Subject: intermediary commit

---
 lib/compound.rb | 4 ++++
 1 file changed, 4 insertions(+)

(limited to 'lib/compound.rb')

diff --git a/lib/compound.rb b/lib/compound.rb
index 4d36915..0c27553 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -1,3 +1,7 @@
+# TODO: check
+# *** Open Babel Error  in ParseFile
+#    Could not find contribution data file.
+# 3d creation??
 CACTUS_URI="http://cactus.nci.nih.gov/chemical/structure/"
 require 'openbabel'
 require "base64"
-- 
cgit v1.2.3