diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 3 |
1 files changed, 0 insertions, 3 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index a399169..8a1143b 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -136,9 +136,6 @@ module OpenTox # @param inchi [String] smiles InChI string # @return [OpenTox::Compound] Compound def self.from_inchi inchi - # Temporary workaround for OpenBabels Inchi bug - # http://sourceforge.net/p/openbabel/bugs/957/ - # bug has not been fixed in latest git/development version #smiles = `echo "#{inchi}" | "#{File.join(File.dirname(__FILE__),"..","openbabel","bin","babel")}" -iinchi - -ocan`.chomp.strip smiles = obconversion(inchi,"inchi","can") if smiles.empty? |