comparison datatypes/mol_to_mol2_converter.xml @ 0:af7b6c6ee439 draft

initial commit

0:af7b6c6ee439

<tool id="CONVERTER_mol_to_mol2" name="MOL to MOL2" version="1.0.0">
    <description></description>
    <command >obabel -imol $input -omol2 -O $output -e 2>&#38;1</command>
    <inputs>
        <param name="input" type="data" format="mol" label="Molecules in MOL-format"/>
    </inputs>
    <outputs>
        <data name="output" format="mol2"/>
    </outputs>
    <requirements>
        <requirement type="binary">obabel</requirement>
    </requirements>
    <help>
    </help>
</tool>