Mercurial > repos > chemteam > ambertools_parmchk2

comparison parmchk2.xml @ 2:00ff41b1d49a draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author chemteam
date Mon, 07 Oct 2019 12:45:54 -0400
parents a1a204464657
children 6aa2b60f3195
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1:a0099ea2ef8b 2:00ff41b1d49a
1 <tool id="ambertools_parmchk2" name="ParmChk2" version="@VERSION@"> 1 <tool id="ambertools_parmchk2" name="ParmChk2" version="@VERSION@">
2 <description>Amber's parameter checker</description> 2 <description>- Amber's parameter checker</description>
3 <macros> 3 <macros>
4 <import>macros.xml</import> 4 <import>macros.xml</import>
5 </macros> 5 </macros>
6 <expand macro="requirements"></expand> 6 <expand macro="requirements"></expand>
7 <command detect_errors="exit_code"> 7 <command detect_errors="exit_code">
13 -o '$output1' 13 -o '$output1'
14 ]]> 14 ]]>
15 </command> 15 </command>
16 <inputs> 16 <inputs>
17 <param type="data" name="input1" label="Molecular input (mol2)" format="mol2"/> 17 <param type="data" name="input1" label="Molecular input (mol2)" format="mol2"/>
18 <section name="allparams" title="General Parameters" expanded="true"> 18 <section name="allparams" title="General parameters" expanded="true">
19 <param name="s" type="select" display="radio" label="FFparm set parameter" help="(-s)"> 19 <param name="s" type="select" display="radio" label="FFparm set parameter" help="(-s)">
20 <option selected="True" value="1">1: gaff</option> 20 <option selected="True" value="1">1: gaff</option>
21 <option value="2">2: gaff2</option> 21 <option value="2">2: gaff2</option>
22 </param> 22 </param>
23 <param name="a" type="boolean" checked="false" truevalue="Y" falsevalue="N" label="Print all force field parameters" help="(-a)"/> 23 <param name="a" type="boolean" checked="false" truevalue="Y" falsevalue="N" label="Print all force field parameters" help="(-a)"/>