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comparison inchi_to_cml_converter.xml @ 0:85eca06eefc6 draft default tip

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author bgruening
date Thu, 15 Aug 2013 03:19:26 -0400
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1 <tool id="CONVERTER_inchi_to_cml" name="InChI to CML" version="1.0.0">
2 <description></description>
3 <parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
4 <requirements>
5 <requirement type="package" version="2.3.2">openbabel</requirement>
6 </requirements>
7 <command >obabel -iinchi "${input}" -ocml -O "${output}" -e 2>&#38;1</command>
8 <inputs>
9 <param name="input" type="data" format="inchi" label="Molecules in InChI format"/>
10 </inputs>
11 <outputs>
12 <data name="output" format="cml"/>
13 </outputs>
14 <help>
15 </help>
16 </tool>