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| author | Christoph Helma <helma@in-silico.ch> | 2018-08-07 20:19:17 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2018-08-07 20:19:17 +0200 |
| commit | 97e65d06feba57b45f55c8b83549b8b5350d3e7a (patch) | |
| tree | 209643b570a0d0a492216f84fda77459dcc5643c /scripts/hansen2csv.rb | |
initial commit
Diffstat (limited to 'scripts/hansen2csv.rb')
| -rwxr-xr-x | scripts/hansen2csv.rb | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/scripts/hansen2csv.rb b/scripts/hansen2csv.rb new file mode 100755 index 0000000..7684afd --- /dev/null +++ b/scripts/hansen2csv.rb @@ -0,0 +1,10 @@ +#!/usr/bin/env ruby +require 'csv' +require_relative '../../lazar/lib/lazar.rb' + +i = 0 +CSV.foreach(ARGV[0]) do |row| + i == 0 ? c = "SMILES" : c = OpenTox::Compound.from_smiles(row[5]).smiles + puts [c, row[2]].join "," + i += 1 +end |