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| author | Christoph Helma <helma@in-silico.ch> | 2015-07-31 19:25:13 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2015-07-31 19:25:13 +0200 |
| commit | f93333d7f5df30875eae9135f4b5e65a98d923b6 (patch) | |
| tree | b3812d5e1bf9f09cafd4ea849e93bbb06bc8f1a3 /lib/compound.rb | |
| parent | e68c69f90036bb7c47c57acb1ee3652b73c835c1 (diff) | |
intermediary commit
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" |