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# Generate a csv from xls using ruby with a HERE document | |
# uses ruby's 'roo' gem | |
# Creates output for every sheet separately | |
# Usage: xls2csv </path/to/xlsfile.xls> | |
xls2csv () { | |
if [ ! -f $1 ]; then | |
echo "File '$1' not found." | |
exit 1 | |
fi |
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require 'rubygems' | |
require 'opentox-ruby' | |
# Parameters | |
dataset_uri = "http://x61s.fdm.uni-freiburg.de/dataset/682" | |
threshold = 0.8 | |
threshold_query = 0.5 | |
cluster_service_uri = "http://opentox-dev.informatik.tu-muenchen.de:8080/OpenTox/algorithm/StructuralClustering" | |
query_compound = OpenTox::Compound.from_smiles("O1COc2cc(ccc12)C") |