Mercurial > repos > bgruening > openbabel_remove_protonation_state

comparison remove_protonation_state.xml @ 12:bf4e668b6690 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 08:41:46 -0400
parents 00263ca6ffb8
children b578d0c101cd
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11:5dc2a6cd6da1 12:bf4e668b6690
1 <tool id="openbabel_remove_protonation_state" name="Remove protonation state" version="@VERSION@.0"> 1 <tool id="openbabel_remove_protonation_state" name="Remove protonation state" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>of every atom</description> 2 <description>of every atom</description>
3 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism--> 3 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" 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 '$__tool_directory__/remove_protonation_state.py' 11 python '$__tool_directory__/remove_protonation_state.py'