diff options
Diffstat (limited to 'bin/fingerprints.rb')
| -rwxr-xr-x | bin/fingerprints.rb | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/bin/fingerprints.rb b/bin/fingerprints.rb index 923be8d..862a1aa 100755 --- a/bin/fingerprints.rb +++ b/bin/fingerprints.rb @@ -1,5 +1,5 @@ #!/usr/bin/env ruby -require_relative "../lib/lazar" +require_relative "../lib/compound" File.read(ARGV[0]).each_line do |smi| c = Compound.from_smiles(smi.chomp) puts c.fingerprint.join(",") |