Mercurial > repos > chemteam > ambertools_parmchk2
comparison parmchk2.xml @ 2:00ff41b1d49a draft
"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)"/> |