Mercurial > repos > chemteam > gmx_energy

comparison energy.xml @ 6:c8d2c0162b6e draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 13:01:10 -0400
parents 345c2a16b95f
children 58c3e6711e94
comparison
equal deleted inserted replaced
5:345c2a16b95f 6:c8d2c0162b6e
1 <tool id="gmx_energy" name="Extract energy components with GROMACS" version="@VERSION@"> 1 <tool id="gmx_energy" name="Extract energy components with GROMACS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>from an energy (EDR) file</description>
3 <macros> 2 <macros>
4 <import>macros.xml</import> 3 <import>macros.xml</import>
4 <token name="@GALAXY_VERSION@">0</token>
5 </macros> 5 </macros>
6 6
7 <expand macro="requirements" /> 7 <expand macro="requirements" />
8 8
9 <command detect_errors="exit_code"><![CDATA[ 9 <command detect_errors="exit_code"><![CDATA[
89 </data> 89 </data>
90 <expand macro="log_outputs" /> 90 <expand macro="log_outputs" />
91 </outputs> 91 </outputs>
92 <tests> 92 <tests>
93 <test> 93 <test>
94 <param name="edr_input" value="md_0_1.edr" /> 94 <param name="edr_input" value="outp.edr" />
95 <param name="terms" value="10,12,13" /> 95 <param name="terms" value="10,12,13" />
96 <param name="fmt" value="xvg" /> 96 <param name="fmt" value="xvg" />
97 <output name="output1" file="md_0_1.xvg" ftype="xvg" lines_diff="12"/> 97 <output name="output1" file="outp.xvg" ftype="xvg" lines_diff="12"/>
98 </test> 98 </test>
99 <test> 99 <test>
100 <param name="edr_input" value="md_0_1.edr" /> 100 <param name="edr_input" value="outp.edr" />
101 <param name="terms" value="10,12,13" /> 101 <param name="terms" value="10,12,13" />
102 <param name="fmt" value="tabular" /> 102 <param name="fmt" value="tabular" />
103 <output name="output1" file="md_0_1.tabular" ftype="tabular"/> 103 <output name="output1" file="outp.tabular" ftype="tabular"/>
104 </test> 104 </test>
105 </tests> 105 </tests>
106 <help><![CDATA[ 106 <help><![CDATA[
107 107
108 .. class:: infomark 108 .. class:: infomark