Mercurial > repos > chemteam > gmx_editconf

comparison editconf.xml @ 6:bfb65cb551d8 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 13:00:07 -0400
parents 7b23265126b0
children
comparison
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5:259a1b8a1a39 6:bfb65cb551d8
1 <tool id="gmx_editconf" name="GROMACS structure configuration" version="@VERSION@"> 1 <tool id="gmx_editconf" name="GROMACS structure configuration" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>using editconf</description> 2 <description>using editconf</description>
3 <macros> 3 <macros>
4 <token name="@GALAXY_VERSION@">0</token>
4 <import>macros.xml</import> 5 <import>macros.xml</import>
5 </macros> 6 </macros>
6 7
7 <expand macro="requirements" /> 8 <expand macro="requirements" />
8 9
67 <param name="dim" value="1.0" /> 68 <param name="dim" value="1.0" />
68 <param name="type" value="cubic" /> 69 <param name="type" value="cubic" />
69 <output name="output" file="newbox.gro"/> 70 <output name="output" file="newbox.gro"/>
70 </test> 71 </test>
71 <test> 72 <test>
72 <param name="input_file" value="npt.gro" ftype="gro"/> 73 <param name="input_file" value="newbox.gro" ftype="gro"/>
73 <param name="output_format" value="pdb" /> 74 <param name="output_format" value="pdb" />
74 <param name="config" value="false" /> 75 <param name="config" value="false" />
75 <output name="output" file="npt.pdb"/> 76 <output name="output" file="newbox.pdb"/>
76 </test> 77 </test>
77 </tests> 78 </tests>
78 <help><![CDATA[ 79 <help><![CDATA[
79 80
80 .. class:: infomark 81 .. class:: infomark