Mercurial > repos > bgruening > openbabel_remions

comparison ob_remIons.xml @ 12:354c048550f7 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:37:04 -0400
parents 04da8dc033e1
children 3153b6f3087c
comparison
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11:9249b0e0e6bd 12:354c048550f7
1 <tool id="openbabel_remIons" name="Remove counterions and fragments" version="@VERSION@.0"> 1 <tool id="openbabel_remIons" name="Remove counterions and fragments" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>from a library of compounds</description> 2 <description>from a library of compounds</description>
3 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="50000" shared_inputs="" merge_outputs="outfile"></parallelism--> 3 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="50000" shared_inputs="" merge_outputs="outfile"></parallelism-->
4 <macros> 4 <macros>
5 <import>macros.xml</import> 5 <import>macros.xml</import>
6 <token name="@GALAXY_VERSION@">0</token>
6 </macros> 7 </macros>
7 <expand macro="requirements"/> 8 <expand macro="requirements"/>
8 <command detect_errors="aggressive"> 9 <command detect_errors="aggressive">
9 <![CDATA[ 10 <![CDATA[
10 python '$__tool_directory__/ob_remIons.py' 11 python '$__tool_directory__/ob_remIons.py'