Mercurial > repos > bgruening > openbabel_compound_convert

comparison ob_convert.xml @ 12:1c66bf08f687 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 08:41:13 -0400
parents a072cb207571
children 4242b4d68e9c
comparison
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11:b59c91adeac1 12:1c66bf08f687
1 <tool id="openbabel_compound_convert" name="Compound conversion" version="@VERSION@.0"> 1 <tool id="openbabel_compound_convert" name="Compound conversion" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>- interconvert between various chemistry and molecular modeling data files</description> 2 <description>- interconvert between various chemistry and molecular modeling data files</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 We can't use that currently, because a few output-datatypes, like the fastsearch index do not support merging. We need to patch galaxy to not abort in such a case 4 We can't use that currently, because a few output-datatypes, like the fastsearch index do not support merging. We need to patch galaxy to not abort in such a case
5 and run the job in non-multi mode. 5 and run the job in non-multi mode.
6 --> 6 -->
7 <macros> 7 <macros>
8 <import>macros.xml</import> 8 <import>macros.xml</import>
9 <token name="@GALAXY_VERSION@">0</token>
9 </macros> 10 </macros>
10 <expand macro="requirements"/> 11 <expand macro="requirements"/>
11 <command detect_errors="aggressive"> 12 <command detect_errors="aggressive">
12 <![CDATA[ 13 <![CDATA[
13 14