Mercurial > repos > galaxyp > encyclopedia_encyclopedia
diff encyclopedia_encyclopedia.xml @ 1:f3a4d2a41393 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/encyclopedia/tools/encyclopedia commit d94002fc79f552c8a64ffca86298396b1568df97"
author | galaxyp |
---|---|
date | Mon, 14 Sep 2020 16:57:41 +0000 |
parents | 3070c42052ab |
children | 745cf6f2e8ac |
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--- a/encyclopedia_encyclopedia.xml Fri Jun 19 14:02:41 2020 +0000 +++ b/encyclopedia_encyclopedia.xml Mon Sep 14 16:57:41 2020 +0000 @@ -4,12 +4,14 @@ <import>macros.xml</import> </macros> <expand macro="requirements" /> - <command detect_errors="exit_code"><![CDATA[ + <command detect_errors="aggressive"><![CDATA[ @CMD_IMPORTS@ @LINK_SCAN_INPUT@ @LINK_FASTA_INPUT@ @LINK_LIB_INPUT@ - EncyclopeDIA -Djava.awt.headless=true + EncyclopeDIA -Djava.awt.headless=true -Duser.language=en-US -Duser.region=US + -Xmx\$[ \${GALAXY_MEMORY_MB:-20480} / 1024 ]g + -numberOfThreadsUsed "\${GALAXY_SLOTS:-4}" @SCAN_INPUT@ @FASTA_INPUT@ @LIB_INPUT@ @@ -24,25 +26,20 @@ <inputs> <expand macro="scan_input"/> <expand macro="fasta_input"/> - <expand macro="lib_input" token_optional="false" token_help="Chromatogram elib from SearchToLib"/> - <expand macro="common_options"/> - <expand macro="mass_library_tolerance"/> - <expand macro="percolator_options"/> - <expand macro="peak_options"/> - <expand macro="window_options"/> - <expand macro="modification_options"/> + <expand macro="lib_input" optional="false" libhelp="Chromatogram elib from SearchToLib on pooled samples"/> + <expand macro="options_section"/> <param name="select_outputs" type="select" label="Select outputs" multiple="true"> <option value="log" selected="true">log</option> <option value="elib" selected="true">elib</option> - <option value="first_delta_rt_pdf" selected="true">encyclopedia.txt.first.delta_rt.pdf</option> - <option value="first_rt_fit_pdf" selected="true">encyclopedia.txt.first.rt_fit.pdf</option> - <option value="first_rt_fit_txt" selected="true">encyclopedia.txt.first.rt_fit.txt</option> - <option value="final_delta_rt_pdf" selected="true">encyclopedia.txt.final.delta_rt.pdf</option> - <option value="final_rt_fit_pdf" selected="true">encyclopedia.txt.final.rt_fit.pdf</option> - <option value="final_rt_fit_txt" selected="true">encyclopedia.txt.final.rt_fit.txt</option> - <option value="features" selected="true">features.txt</option> - <option value="encyclopedia" selected="true">encyclopedia.txt</option> - <option value="encyclopedia_decoy" selected="true">encyclopedia.decoy.txt</option> + <option value="first_delta_rt_pdf" selected="false">Initial Delta Retention Time Plot</option> + <option value="first_rt_fit_pdf" selected="false">Initial Fitted Retention Time Plot</option> + <option value="first_rt_fit_txt" selected="false">Initial Fitted Retention Time Table</option> + <option value="final_delta_rt_pdf" selected="false">Final Delta Retention Time Plot</option> + <option value="final_rt_fit_pdf" selected="false">Final Fitted Retention Time Plot</option> + <option value="final_rt_fit_txt" selected="false">Final Fitted Retention Time Table</option> + <option value="features" selected="false">features</option> + <option value="encyclopedia" selected="true">encyclopedia results</option> + <option value="encyclopedia_decoy" selected="false">encyclopedia decoy results</option> </param> </inputs> <outputs> @@ -95,45 +92,56 @@ </actions> </data> </outputs> - <help><![CDATA[ -EncyclopeDIA is a library search engine for DIA data. -You should prefix your arguments with a high memory setting, e.g. "-Xmx8g" for 8gb + <tests> + <test> + <param name="scan_input" ftype="mzml" value="BCS_hela_wide_500_900_1.mzML"/> + <param name="library" ftype="elib" value="BCS_hela.elib"/> + <param name="fasta" ftype="fasta" value="uniprot_human.fasta"/> + <param name="select_outputs" value="log,features,encyclopedia"/> + <output name="features" ftype="tabular"> + <assert_contents> + <has_text text="ESYDDVSSFR"/> + </assert_contents> + </output> + <output name="encyclopedia" ftype="tabular"> + <assert_contents> + <has_text text="ESYDDVSSFR"/> + </assert_contents> + </output> + </test> + </tests> -Required Parameters: - -i input .DIA or .MZML file - -f protein .FASTA database - -l library .ELIB file + <help><![CDATA[ +**EncyclopeDIA** + +@ENCYCLOPEDIA_WIKI@ -Other Parameters: - -o output report file (default: [input file].encyclopedia.txt) - -acquisition (default: Non-Overlapping DIA) - -enzyme (default: trypsin) - -expectedPeakWidth (default: 25) - -filterPeaklists (default: false) - -fixed (default: C=57.0214635) - -foffset (default: 0) - -frag (default: CID) - -ftol (default: 10) - -ftolunits (default: ppm) - -lftol (default: 10) - -lftolunits (default: ppm) - -localizationModification (default: none) - -minIntensity (default: -1.0) - -minNumOfQuantitativePeaks (default: 3) - -minQuantitativeIonNumber (default: 3) - -numberOfExtraDecoyLibrariesSearched (default: 0.0) - -numberOfQuantitativePeaks (default: 5) - -percolatorProteinThreshold (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) - -rtWindowInMin (default: -1.0) - -scoringBreadthType (default: window) - -verifyModificationIons (default: true) +EncyclopeDIA extracts peptide fragmentation chromatograms from MZML files, matches them to spectra in libraries, and calculates various scoring features. These features are interpreted by Percolator to identify peptides. + + +**Inputs** + + - A spectrum file in mzML format + - A chromatogram library that can be generated by SearchToLib + - A protein data base in fasta format + + +@MSCONVERT_HELP@ + +**Outputs** + + - A log file + - A Chromatogram Library (.elib) + - The identified features in tabular format + Feature values of scans that are used by percolator to determine matches. + - The identified Peptide Spectral Match results in tabular format + Columns: PSMId, score, q-value, posterior_error_prob, peptide, proteinIds + - The identified peptides in tabular format + Per peptide: the normalized intensity for each scan file. + Columns: Peptide, Protein, numFragments, intensity_in_file1, intensity_in_file2, ... + - The identified proteins in tabular format + Per protein: the normalized intensity for each scan file. + Columns: Protein, NumPeptides, PeptideSequences, intensity_in_file1, intensity_in_file2, ... ]]></help> <expand macro="citations" />