Mercurial > repos > bgruening > openbabel_genprop

comparison ob_genProp.xml @ 12:a72ae2711a97 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 08:34:42 -0400
parents aafffb37d168
children 50eaae9df8d3
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11:e4ece69f1b32 12:a72ae2711a97
1 <tool id="openbabel_genProp" name="Compute physico-chemical properties" version="@VERSION@.0"> 1 <tool id="openbabel_genProp" name="Compute physico-chemical properties" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>for a set of molecules</description> 2 <description>for a set of molecules</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 '$__tool_directory__/ob_genProp.py' 11 python '$__tool_directory__/ob_genProp.py'