Mercurial > repos > chemteam > gmx_makendx

comparison makendx.xml @ 6:d9eb276dfa32 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 12:59:41 -0400
parents 48dcca6f45ce
children
comparison
equal deleted inserted replaced
5:c119d1b9941b 6:d9eb276dfa32
1 <tool id="gmx_makendx" name="Create GROMACS index files" version="@VERSION@"> 1 <tool id="gmx_makendx" name="Create GROMACS index files" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>using make_ndx</description> 2 <description>using make_ndx</description>
3 <macros> 3 <macros>
4 <import>macros.xml</import> 4 <import>macros.xml</import>
5 <token name="@GALAXY_VERSION@">0</token>
5 </macros> 6 </macros>
6 7
7 <expand macro="requirements" /> 8 <expand macro="requirements" />
8 9
9 <command detect_errors="exit_code"><![CDATA[ 10 <command detect_errors="exit_code"><![CDATA[
33 <data name="ndx" format="ndx"/> 34 <data name="ndx" format="ndx"/>
34 <expand macro="log_outputs" /> 35 <expand macro="log_outputs" />
35 </outputs> 36 </outputs>
36 <tests> 37 <tests>
37 <test> 38 <test>
38 <param name="input_file" value="md_0_1.gro" ftype="gro"/> 39 <param name="input_file" value="str_ions.gro" ftype="gro"/>
39 <param name="sel" value="! 1 &amp; 14" /> 40 <param name="sel" value="! 1 &amp; 13" />
40 <output name="ndx" file="md_0_1.ndx"> 41 <output name="ndx">
41 <assert_contents> 42 <assert_contents>
42 <has_line line="[ !Protein_&amp;_non-Water ]"/> 43 <has_line line="[ !Protein_&amp;_CL ]"/>
43 <has_text text="38369 38370 38371 38372 38373 38374 38375 38376"/> 44 <has_text text=" 93 94"/>
44 </assert_contents> 45 </assert_contents>
45 </output> 46 </output>
46 </test> 47 </test>
47 </tests> 48 </tests>
48 <help><![CDATA[ 49 <help><![CDATA[