Mercurial > repos > chemteam > mdanalysis_extract_rmsd

comparison extract_rmsd.xml @ 2:589f8ef21e58 draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:44:09 +0000
parents 8f6ad93973cb
children
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1:8f6ad93973cb 2:589f8ef21e58
1 <tool id="mdanalysis_extract_rmsd" name="Extract RMSD distance matrix data" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> 1 <tool id="mdanalysis_extract_rmsd" name="Extract RMSD distance matrix data" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>from MD ensemble with MDAnalysis</description> 2 <description>from MD ensemble with MDAnalysis</description>
3 <macros> 3 <macros>
4 <import>macros.xml</import> 4 <import>macros.xml</import>
5 <token name="@GALAXY_VERSION@">1</token> 5 <token name="@GALAXY_VERSION@">2</token>
6 </macros> 6 </macros>
7 <expand macro="requirements"/> 7 <expand macro="requirements"/>
8 <command detect_errors="exit_code"><![CDATA[ 8 <command detect_errors="exit_code"><![CDATA[
9 #for t in $strs: 9 #for t in $strs:
10 echo $t &>> ./strs.txt && 10 echo $t &>> ./strs.txt &&
55 <param name="start" value="0" /> 55 <param name="start" value="0" />
56 <param name="end" value="15" /> 56 <param name="end" value="15" />
57 <param name="step" value="1" /> 57 <param name="step" value="1" />
58 <output name="output"> 58 <output name="output">
59 <assert_contents> 59 <assert_contents>
60 <has_text text="0.0" n="20"/> 60 <has_text text="0.0" n="60"/>
61 <has_size value="1126" /> 61 <has_size value="1126" />
62 <has_n_lines n="74" /> 62 <has_n_lines n="74" />
63 </assert_contents> 63 </assert_contents>
64 </output> 64 </output>
65 </test> 65 </test>