annotate masscomb_dbsearch_converter.xml @ 9:c317e0f939df

Made converter more robust and added support for mzXML in xtandem interface
author pieter.lukasse@wur.nl
date Fri, 07 Feb 2014 11:41:58 +0100
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children 1a6fa343b981
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1 <tool name="DB search converter" id="masscomb_dbsearch_converter" version="1.0.1">
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2 <description> Convert search results to MzIdentML (aka mzid) format</description>
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3 <!--
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4 For remote debugging start you listener on port 8000 and use the following as command interpreter:
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5 java -jar -Xdebug -Xrunjdwp:transport=dt_socket,address=D0100564.wurnet.nl:8000
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6 //////////////////////////
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7 -->
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8 <command interpreter="java -jar">
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9 MassComb.jar
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10 -action DBSEARCHCONVERT
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11 -fileGrouping $fileType.type
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12 -searchResultsFormat $fileType.inputFormatType.inputFormat
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13 #if $fileType.inputFormatType.inputFormat == "xtandem"
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14 -isMs2SpectrumIdStartingAtZero $fileType.inputFormatType.isMs2SpectrumIdStartingAtZero
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15 #end if
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16 -inputFile $fileType.inputFormatType.inputFile
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17 -outputMsMsFragmentationData $outputMsMsFragmentationData
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18 -outputFile $outputFile
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19 </command>
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20 <inputs>
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21 <conditional name="fileType">
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22 <param name="type" type="select" label="select file grouping type">
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23 <option value="single" selected="true">single-File</option>
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24 <option value="fileSet">fileSet</option>
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25 </param>
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26 <when value="single">
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27 <conditional name="inputFormatType">
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28 <param name="inputFormat" type="select" label="inputFormat">
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29 <option value="xtandem">X!Tandem</option>
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30 <option value="omssa">OMSSA</option>
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31 <option value="proteomediscoverer_pepxml">Proteome Discoverer (pepxml) [beta]</option>
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32 </param>
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33 <when value="xtandem">
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34 <param name="inputFile" type="data" format="bioml,xml" label="MS/MS search results" help="Note: the spectra index values in the resulting file will only be reliable for when X!Tandem has executed on MzML data"/>
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35 <param name="isMs2SpectrumIdStartingAtZero" type="select" label="Spectrum numbering starting at zero in original spectra file" help="Some formats, like mzML, start their spectrum numbering from 0, other formats start from 1. ">
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36 <option value="true" selected="true">Yes, starting at 0</option>
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37 <option value="false">No, starting at 1</option>
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38 </param>
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39 </when>
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40 <when value="omssa">
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41 <param name="inputFile" type="data" format="omx" label="MS/MS search results"/>
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42 </when>
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43 <when value="proteomediscoverer_pepxml">
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44 <param name="inputFile" type="data" format="pepxml" label="MS/MS search results (pepxml)"/>
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45 </when>
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46 </conditional>
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47 </when>
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48 <when value="fileSet">
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49 <conditional name="inputFormatType">
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50 <param name="inputFormat" type="select" label="inputFormat">
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51 <option value="xtandem">X!Tandem</option>
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52 <option value="omssa">OMSSA</option>
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53 </param>
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54 <when value="xtandem">
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55 <param name="inputFile" type="data" format="prims.fileset.zip" label="MS/MS search results" />
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56 <param name="isMs2SpectrumIdStartingAtZero" type="select" label="Spectrum numbering starting at zero in original spectra file" help="Some formats, like mzML, start their spectrum numbering from 0, other formats start from 1. ">
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57 <option value="true" selected="true">Yes, starting at 0</option>
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58 <option value="false">No, starting at 1</option>
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59 </param>
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60 </when>
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61 <when value="omssa">
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62 <param name="inputFile" type="data" format="prims.fileset.zip" label="MS/MS search results"/>
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63 </when>
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64 </conditional>
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65 </when>
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66 </conditional>
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67 <param name="outputMsMsFragmentationData" type="boolean" checked="false"
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68 label="Output MS/MS fragmentation data"
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69 help="NB: this will add to the output also the fragment ions related to each peptide identification"/>
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70
0
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71 </inputs>
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72 <outputs>
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73 <data name="outputFile" format="mzid" label="${tool.name} (to MzIdentML) on ${on_string} ">
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74 <change_format>
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75 <when input="fileType.type" value="fileSet" format="prims.fileset.zip" label="${tool.name} (to MzIdentML) on ${on_string} "/>
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76 </change_format>
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77 </data>
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78 </outputs>
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79 <tests>
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80 </tests>
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81 <help>
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82
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83 .. class:: infomark
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84
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85 This tool translates X!Tandem, OMSSA or Proteome Discoverer peptide identification results to mzIdentML format.
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86 It uses the library at http://code.google.com/p/mzidentml-parsers/
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87 -----
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88
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89
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90 </help>
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91 </tool>