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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a164f06c09dc1614c2909c247ebf390aab433527-dirty
author tomnl
date Wed, 18 Sep 2019 05:46:09 -0400
parents a91e186cf294
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f2683ec717fe planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a164f06c09dc1614c2909c247ebf390aab433527-dirty
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1 <tool id="msp_split" name="msp_split" version="0.0.2">
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2 <description>Slit MSP file into n number of files</description>
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4 <stdio>
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5 <exit_code range="1:" />
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6 </stdio>
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7 <command interpreter="python"><![CDATA[ msp_split.py -i $in_msp -o 'spec_out' -n $n -x $x ]]></command>
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9 <inputs>
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10 <param name="in_msp" type="data" label="Input MSP file" format="txt,msp" help='MSP file (must have NAME: as the first element in each spectra entry'/>
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11 <param name="n" type="integer" label="Number of new files" value="2"
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12 help="Number of new MSP files to split the original MSP file into"/>
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13 <param name="x" type="text" label="Starting parameter for each spectra" value="RECORD_TITLE:"
f2683ec717fe planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a164f06c09dc1614c2909c247ebf390aab433527-dirty
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14 help="Parameter in the MSP file that indicates the start of a each spectra"/>
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15 </inputs>
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16 <outputs>
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17 <collection name="multiple" type="list" label="${tool.name} on ${on_string}: multi msp files">
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18 <discover_datasets pattern="__designation_and_ext__" ext='msp' directory="spec_out" format='msp' />
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19 </collection>
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20 </outputs>
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21 <tests>
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22 <test>
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23 <param name="in_msp" value="input.msp"/>
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24 <output_collection name="multiple" type="list">
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25 <element name="file1" file="file01.msp" ftype="msp"/>
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26 <element name="file2" file="file02.msp" ftype="msp"/>
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27 </output_collection>
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28 </test>
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29 </tests>
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30 <help><![CDATA[
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31 =============================================================
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32 msp split
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33 =============================================================
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34 Split a MSP file into n MSP files. Where the the spectra will be divided between n files.
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36 ]]></help>
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38 <citations>
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39 <!-- <citation type="doi">10.1021/acs.analchem.6b04358</citation> -->
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40 </citations>
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41
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42 </tool>