diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 4 |
1 files changed, 4 insertions, 0 deletions
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" |