Mercurial > repos > bgruening > openbabel_addh

comparison ob_addh.xml @ 7:d2e6d682bcd0 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
author bgruening
date Tue, 07 May 2019 13:37:26 -0400
parents ada6daa717d2
children 43167f164076
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6:bfb8555f0003 7:d2e6d682bcd0
15 --pH "${pH_value}" 15 --pH "${pH_value}"
16 ]]> 16 ]]>
17 </command> 17 </command>
18 <inputs> 18 <inputs>
19 <expand macro="infile_all_types"/> 19 <expand macro="infile_all_types"/>
20 <param name="polar" type="boolean" truevalue="--polar" falsevalue="" label="Add hydrogens to polar atoms only"/> 20 <param name="polar" type="boolean" truevalue="--polar" falsevalue="" label="Add hydrogens to polar atoms only (i.e. not to carbon atoms)"/>
21 <param name="pH_value" type="float" value="7.4" min="0" max="14" label="Specify pH value"/> 21 <param name="pH_value" type="float" value="7.4" min="0" max="14" label="Specify pH value"/>
22 </inputs> 22 </inputs>
23 <outputs> 23 <outputs>
24 <expand macro="output_like_input"/> 24 <expand macro="output_like_input"/>
25 </outputs> 25 </outputs>