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annotate mol_to_mol2_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_mol_to_mol2" name="MOL to MOL2" version="1.0.0">
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2 <description></description>
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3 <requirements>
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4 <requirement type="package" version="2.3.2">openbabel</requirement>
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5 </requirements>
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6 <command >obabel -imol "${input}" -omol2 -O "${output}" -e 2>&#38;1</command>
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7 <inputs>
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8 <param name="input" type="data" format="mol" label="Molecules in MOL-format"/>
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9 </inputs>
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10 <outputs>
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11 <data name="output" format="mol2"/>
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12 </outputs>
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13 <help>
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14 </help>
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15 </tool>