diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 1 |
1 files changed, 0 insertions, 1 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index d80f579..8dc53a1 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -319,7 +319,6 @@ module OpenTox obconversion.read_string obmol, identifier case output_format when /smi|can|inchi/ - #obconversion.write_string(obmol).gsub(/\s/,'').chomp obconversion.write_string(obmol).split(/\s/).first when /sdf/ # TODO: find disconnected structures |