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Diffstat (limited to 'scripts/mazzatorta-unique-smiles.rb')
| -rwxr-xr-x | scripts/mazzatorta-unique-smiles.rb | 1 |
1 files changed, 0 insertions, 1 deletions
diff --git a/scripts/mazzatorta-unique-smiles.rb b/scripts/mazzatorta-unique-smiles.rb index 306c107..4d00fad 100755 --- a/scripts/mazzatorta-unique-smiles.rb +++ b/scripts/mazzatorta-unique-smiles.rb @@ -5,7 +5,6 @@ include OpenTox csv_in = CSV.read(ARGV[0], :encoding => 'windows-1251:utf-8') head = csv_in.shift data = [] -data = [] csv_in.each do |line| c = Compound.from_smiles line[0] # round to 5 significant digits in order to detect duplicates |