Mercurial > repos > recetox > qcxms_getres
comparison qcxms_getres.xml @ 1:af8839475b43 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 55c0154b9b6d7f97eefebf92d43bd0c5442247a6
| author | recetox |
|---|---|
| date | Tue, 21 May 2024 11:48:35 +0000 |
| parents | ef51824f6d04 |
| children | 53dce0e49af7 |
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| 0:ef51824f6d04 | 1:af8839475b43 |
|---|---|
| 1 <tool id="qcxms_getres" name="QCxMS get results" version="@TOOL_VERSION@+galaxy0" profile="22.09"> | 1 <tool id="qcxms_getres" name="QCxMS get results" version="@TOOL_VERSION@+galaxy1" profile="22.09"> |
| 2 <description>Get result of the Production run to obtain a QCxMS simulated mass spectrum</description> | 2 <description>Get result of the Production run to obtain a QCxMS simulated mass spectrum</description> |
| 3 | 3 |
| 4 <macros> | 4 <macros> |
| 5 <import>macros.xml</import> | 5 <import>macros.xml</import> |
| 6 </macros> | 6 </macros> |
| 35 | 35 |
| 36 </configfile> | 36 </configfile> |
| 37 </configfiles> | 37 </configfiles> |
| 38 | 38 |
| 39 <inputs> | 39 <inputs> |
| 40 <param type="data" name="mol" label="Molecule 3D structure [.xzy]" format="xyz" /> | 40 <param type="data" name="mol" label="Molecule 3D structure [.xyz]" format="xyz" /> |
| 41 <param type="data_collection" collection_type="list" name="res_files" label="res files [.res]" format="txt,text"/> | 41 <param type="data_collection" collection_type="list" name="res_files" label="res files [.res]" format="txt,text"/> |
| 42 </inputs> | 42 </inputs> |
| 43 | 43 |
| 44 <outputs> | 44 <outputs> |
| 45 <data name="msp_output" format="msp" from_work_dir="simulated_spectra.msp" label="simulated_spectra.msp generated by ${tool.name} on ${on_string}"/> | 45 <data name="msp_output" format="msp" from_work_dir="simulated_spectra.msp" label="simulated_spectra.msp generated by ${tool.name} on ${on_string}"/> |