Mercurial > repos > galaxyp > morpheus
diff morpheus.xml @ 3:12c5c3a50d4b draft
Uploaded
author | galaxyp |
---|---|
date | Thu, 19 Nov 2015 16:02:50 -0500 |
parents | 1c8071d2ae6f |
children | a7c58067f5ee |
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--- a/morpheus.xml Thu Nov 05 09:22:08 2015 -0500 +++ b/morpheus.xml Thu Nov 19 16:02:50 2015 -0500 @@ -1,9 +1,7 @@ -<tool id="morpheus" name="Morpheus" version="1.171.1"> +<tool id="morpheus" name="Morpheus" version="1.171.2"> <description>database search algorithm for high-resolution tandem mass spectra</description> <macros> <xml name="modification_options"> - <option value="carbamidomethylation of C">carbamidomethylation of C</option> - <option value="oxidation of M">oxidation of M</option> <option value="acetylation of protein N-terminus">acetylation of protein N-terminus</option> <option value="acetylation of lysine">acetylation of lysine</option> <option value="phosphorylation of S">phosphorylation of S</option> @@ -30,6 +28,16 @@ <option value="iTRAQ 8-plex on K">iTRAQ 8-plex on K</option> <option value="iTRAQ 8-plex on Y ">iTRAQ 8-plex on Y </option> </xml> + <xml name="variable_modification_options"> + <option value="oxidation of M" selected="true">oxidation of M</option> + <option value="carbamidomethylation of C">carbamidomethylation of C</option> + <expand macro="modification_options"/> + </xml> + <xml name="fixed_modification_options"> + <option value="carbamidomethylation of C" selected="true">carbamidomethylation of C</option> + <option value="oxidation of M">oxidation of M</option> + <expand macro="modification_options"/> + </xml> </macros> <requirements> @@ -70,9 +78,6 @@ #if str($mvmi) != '': -mvmi=$mvmi #end if - #if str($precmt) != 'None': - -precmt=$precmt - #end if #if str($precmtv) != '': -precmtv=$precmtv #end if @@ -80,6 +85,9 @@ -precmtu=$precmtu #end if #if str( $advanced.adv_options_selector) == "set": + #if str($advanced.precmt) != 'None': + -precmt=$advanced.precmt + #end if #if str($advanced.minprecz) != '': -minprecz=$advanced.minprecz #end if @@ -139,17 +147,13 @@ <param name="input" type="data" format="mzml" label='Indexed mzML' /> <param name="searchdb" type="data" format="fasta,uniprotxml" label="MS Protein Search Database: UniProt Xml or Fasta"/> <param name="fm" type="select" multiple="true" optional="true" label="Fixed Modifications"> - <expand macro="modification_options" /> + <expand macro="fixed_modification_options" /> </param> <param name="vm" type="select" multiple="true" optional="true" label="Variable Modifications"> - <expand macro="modification_options" /> + <expand macro="variable_modification_options" /> </param> <param name="fdr" type="float" value="1" optional="true" min="0.0" max="100.0" label="FDR (Maximum False Discovery Rate percent)" /> <param name="mvmi" type="integer" value="1024" optional="true" min="0" label="Maximum Variable Modification Isoforms Per Peptide" /> - <param name="precmt" type="select" optional="true" label="Precursor Mass Type"> - <option value="Monoisotopic">Monoisotopic</option> - <option value="Average">Average</option> - </param> <param name="precmtv" type="float" value="10." optional="true" label="Precursor Mass Tolerance Value" /> <param name="precmtu" type="select" optional="true" label="Precursor Mass Tolerance Units"> <option value="ppm" selected="true">ppm</option> @@ -161,18 +165,22 @@ <option value="do_not_set" selected="True">Do not set</option> </param> <when value="set"> + <param name="precmt" type="select" optional="true" label="Precursor Mass Type"> + <option value="Monoisotopic">Monoisotopic</option> + <option value="Average">Average</option> + </param> <param name="noup" type="boolean" truevalue="" falsevalue="-noup=True" checked="True" label="Use G-PTM with Uniprot Proteome Search Databases" /> <param name="minprecz" type="integer" value="2" optional="true" label="Minimum Unknown Precursor Charge State" /> <param name="maxprecz" type="integer" value="4" optional="true" label="Maximum Unknown Precursor Charge State" /> <param name="at" type="float" value="" optional="true" min="0.0" label="Absolute MS/MS Intensity Threshold" /> <param name="rt" type="float" value="" optional="true" min="0.0" label="Relative MS/MS Intensity Threshold" /> - <param name="mp" type="integer" value="" optional="true" min="-1" label="Maximum Number of MS/MS Peaks" help="to disable set to: -1"/> + <param name="mp" type="integer" value="400" optional="true" min="-1" label="Maximum Number of MS/MS Peaks" help="to disable set to: -1"/> <param name="acs" type="boolean" truevalue="-acs=True" falsevalue="-acs=False" checked="true" optional="true" label="Assign Charge States" /> - <param name="di" type="boolean" truevalue="-di=True" falsevalue="-di=False" checked="true" optional="true" label="Deisotope" /> - <param name="ad" type="select" optional="true" label="Append Decoys on the fly" + <param name="di" type="boolean" truevalue="-di=True" falsevalue="-di=False" checked="false" optional="true" label="Deisotope" /> + <param name="ad" type="select" optional="true" label="Create Target-Decoy Database On The Fly" help="Set to No if Search Database ia a fasta that already includes decoys."> + <option value="True" selected="true">Yes</option> <option value="False">No</option> - <option value="True">Yes</option> </param> <param name="mmc" type="integer" value="2" optional="true" min="0" max="20" label="Maximum Missed Cleavages" /> <param name="pmc" type="boolean" truevalue="-pmc=True" falsevalue="-pmc=False" checked="false" optional="true" label="Precursor Monoisotopic Peak Correction" /> @@ -192,7 +200,7 @@ <option value="Retain">Retain</option> <option value="Cleave">Cleave</option> </param> - <param name="cmu" type="boolean" truevalue="-cmu=True" falsevalue="-cmu=False" checked="false" optional="true" label="Consider Modifications Unique" /> + <param name="cmu" type="boolean" truevalue="-cmu=True" falsevalue="-cmu=False" checked="false" optional="true" label="Consider Modified Forms as Unique Peptides" /> <param name="mmu" type="boolean" truevalue="-mmu=True" falsevalue="-mmu=False" checked="false" optional="true" label="Minimize Memory Usage" /> </when> <when value="do_not_set"/>