Mercurial > repos > jjohnson > encyclopedia_fasta_to_prosit_csv
diff macros.xml @ 1:c394bccd6f64 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/encyclopedia/tools/encyclopedia commit 81e7c4d3d6066b99ad50374292f340302dc4f02d"
author | jjohnson |
---|---|
date | Tue, 30 Jun 2020 11:44:27 -0400 |
parents | d0202c597434 |
children | 725e83e1eed1 |
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--- a/macros.xml Fri Jun 19 10:21:58 2020 -0400 +++ b/macros.xml Tue Jun 30 11:44:27 2020 -0400 @@ -30,11 +30,17 @@ <yield/> </requirements> </xml> + <token name="@ENCYCLOPEDIA_WIKI@"> +EncyclopeDIA_ is library search engine comprised of several algorithms for DIA data analysis and can search for peptides using either DDA-based spectrum libraries or DIA-based chromatogram libraries. + +.. _EncyclopeDIA: https://bitbucket.org/searleb/encyclopedia/wiki/Home + </token> <xml name="citations"> <citations> <citation type="doi">10.1038/s41467-018-07454-w</citation> <citation type="doi">10.1038/s41467-020-15346-1</citation> - <yield /> + <citation type="doi">10.1074/mcp.P119.001913</citation> + <yield/> </citations> </xml> <token name="@CMD_IMPORTS@"> @@ -77,7 +83,9 @@ </token> <xml name="scan_input"> - <param argument="-i" type="data" format="imzml,mzml" label="Spectrum file, .mzml or .dia"/> + <param argument="-i" type="data" format="imzml,mzml" label="Spectrum file in mzML format"> + <help>@MSCONVERT_RAW@</help> + </param> </xml> <token name="@LINK_SCAN_INPUT@"><![CDATA[ #set $i_name = $ln_name($i) @@ -88,7 +96,9 @@ </token> <xml name="scan_inputs"> - <param argument="-i" type="data" format="imzml,mzml" multiple="true" label="Spectrum file, .mzml or .dia"/> + <param argument="-i" type="data" format="imzml,mzml" multiple="true" label="Spectrum files in mzML format"> + <help>@MSCONVERT_RAW@</help> + </param> </xml> <token name="@LINK_SCAN_INPUTS@"><![CDATA[ #set $inputs_dir = 'inputs' @@ -103,7 +113,9 @@ </token> <xml name="fasta_input"> - <param argument="-f" type="data" format="fasta" label="Background protein fasta database"/> + <param argument="-f" type="data" format="fasta" label="Background proteome protein fasta database"> + <help>provides the necessary peptide-to-protein links not specified in the spectrum library</help> + </param> </xml> <token name="@LINK_FASTA_INPUT@"><![CDATA[ #set $f_name = $ln_name($f) @@ -114,7 +126,7 @@ </token> <xml name="target_fasta"> - <param argument="-t" type="data" format="fasta" label="target FASTA file" optional="true"/> + <param argument="-t" type="data" format="fasta" label="Target fasta database" optional="true"/> <param argument="-tp" type="boolean" truevalue="true" falsevalue="false" checked="false" label="target FASTA file contains peptides"/> </xml> <token name="@LINK_TARGET_FASTA@"><![CDATA[ @@ -132,9 +144,9 @@ #end if </token> - <xml name="lib_input" token_optional="true" token_help=""> + <xml name="lib_input" token_optional="true" token_libhelp=""> <param argument="-l" type="data" format="elib,dlib" optional="@OPTIONAL@" label="Library: Chromatagram .ELIB or Spectrum .DLIB"> - <help>@HELP@</help> + <help>@LIBHELP@</help> </param> </xml> <token name="@LINK_LIB_INPUT@"><![CDATA[ @@ -484,106 +496,25 @@ ## -dontRunDecoys $search.dontRunDecoys #end if </token> - <!-- -minNumOfQuantitativePeaks minQuantitativeIonNumber numberOfQuantitativePeaks numberOfReportedPeaksu - +acquisition (default: overlapping dia) - +addDecoysToBackground (default: false) - +alpha (default: 1.8) - +beta (default: 0.4) - +dontRunDecoys (default: false) - +enzyme (default: trypsin) - +filterPeaklists (default: false) - +fixed (default: C=57.0214635) - +foffset (default: 0) - =frag (default: YONLY) - +ftol (default: 10) - +ftolunits (default: ppm) - +maxCharge (default: 3) - +ftolunits (default: ppm) - +maxCharge (default: 3) - +maxLength (default: 100) - +maxMissedCleavage (default: 1) - +minCharge (default: 2) - +minEluteTime (default: 12) - +minIntensity (default: -1.0) - +minLength (default: 5) - +minNumOfQuantitativePeaks (default: 3) - +minQuantitativeIonNumber (default: 3) - +numberOfQuantitativePeaks (default: 5) - -numberOfReportedPeaks (default: 1) - -numberOfThreadsUsed (default: 12) - +percolatorProteinThreshol (default: 0.01) - +percolatorThreshold (default: 0.01) - +percolatorVersionNumber (default: 3) - +poffset (default: 0) - +precursorIsolationMargin (default: 0) - +precursorWindowSize (default: -1) - +ptol (default: 10) - +ptolunits (default: ppm) - -requireVariableMods (default: false) - -variable (default: -) - --> <xml name="libexport"> <param argument="-a" type="boolean" truevalue="true" falsevalue="false" checked="false" label="align between files"/> </xml> -</macros> -<!-- -e w t x l param -+:+:+:+:+ i -+:+:+:+:+ l -+:+:+:+:+ f - -+:+:+:+:+ t --:+:-:+:- tp --:+:-:+:+ a - -+:+:+:+:+ o + <token name="@MSCONVERT_CMD@"><![CDATA[ + msconvert --zlib --64 --mzML --simAsSpectra --filter "peakPicking true 1-" --filter "demultiplex optimization=overlap_only" *.raw +]]> + </token> + <token name="@MSCONVERT_RAW@"><![CDATA[ +mzML conversion from RAW requires special options: @MSCONVERT_CMD@ +]]> + </token> + <token name="@MSCONVERT_HELP@"><![CDATA[ -+:+:+:+:- acquisition --:+:-:+:- addDecoysToBackground --:+:-:+:- alpha --:+:-:+:- beta --:-:-:-:+ blib --:+:-:+:- dontRunDecoys -+:+:+:+:- enzyme -+:-:+:-:- expectedPeakWidth -+:+:+:+:- filterPeaklists -+:+:+:+:+ fixed -+:+:+:+:+ foffset -+:+:+:+:- frag -+:+:+:+:+ ftol -+:+:+:+:+ ftolunits -+:-:+:-:- lftol -+:-:+:-:- lftolunits -+:-:-:-:- libexport -+:-:+:-:+ localizationModification --:+:-:+:- maxCharge --:+:-:+:- maxLength --:+:-:+:- maxMissedCleavage --:+:-:+:- minCharge --:+:-:+:- minEluteTime -+:+:+:+:- minIntensity --:+:-:+:- minLength -+:+:+:+:+ minNumOfQuantitativePeaks -+:+:+:+:+ minQuantitativeIonNumber -+:-:+:-:+ numberOfExtraDecoyLibrariesSearched -+:+:+:+:+ numberOfQuantitativePeaks --:+:-:+:- numberOfReportedPeaks --:+:-:+:- numberOfThreadsUsed --:-:-:-:+ percolatorLocation --:+:-:+:- percolatorProteinThreshol -+:-:+:-:+ percolatorProteinThreshold -+:+:+:+:+ percolatorThreshold -+:+:+:+:- percolatorVersionNumber --:-:-:-:+ phospho -+:+:+:+:- poffset -+:+:+:+:- precursorIsolationMargin -+:+:+:+:- precursorWindowSize -+:+:+:+:- ptol -+:+:+:+:- ptolunits --:+:-:+:- requireVariableMods -+:-:+:-:- rtWindowInMin -+:-:+:-:- scoringBreadthType --:+:-:+:- variable -+:-:+:-:- verifyModificationIons ---> + The MSConvert command can be used to deconvolute DIA raw files. You need to use these options + + :: + + @MSCONVERT_CMD@ + +]]> + </token> +</macros>