Mercurial > repos > galaxyp > morpheus
annotate morpheus.xml @ 7:cf9a994e0447 draft default tip
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
author | galaxyp |
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date | Mon, 15 Jul 2024 18:21:18 +0000 |
parents | 01a572a3a716 |
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rev | line source |
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7
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
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diff
changeset
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1 <tool id="morpheus" name="Morpheus" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="@PROFILE@"> |
0 | 2 <description>database search algorithm for high-resolution tandem mass spectra</description> |
3 <macros> | |
7
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
parents:
6
diff
changeset
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4 <import>macros.xml</import> |
0 | 5 </macros> |
7
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
parents:
6
diff
changeset
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6 <expand macro="edam_ontology"/> |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
parents:
6
diff
changeset
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7 <expand macro="biotools"/> |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
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diff
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8 <expand macro="requirements"/> |
0 | 9 <stdio> |
10 <exit_code range="1:" /> | |
11 <regex match="System..*Exception" | |
12 source="both" | |
13 level="fatal" | |
14 description="Error encountered" /> | |
15 </stdio> | |
16 | |
17 <command><![CDATA[ | |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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18 mkdir -p output_reports && |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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19 cwd=`pwd` && |
4 | 20 #import re |
0 | 21 #set $searchdb_name = $searchdb |
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01a572a3a716
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 93e02b037bfb37001de2bfb6fc731539c1902e80
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22 #if $searchdb.is_of_type('uniprotxml'): |
0 | 23 #set $searchdb_name = 'searchdb.xml' |
24 #else | |
25 #set $searchdb_name = 'searchdb.fasta' | |
26 #end if | |
4 | 27 ln -s $searchdb $searchdb_name |
28 ## Need to link each input to a name in cwd, names must be unique | |
29 #set $input_list = [] | |
30 #for i,input in enumerate($inputs): | |
31 #set $input_name = $re.sub('(?i)([.]?mzML)*$','.mzML',$re.sub('\W','_',$input.name)) | |
32 #if $input_name in $input_list: | |
33 #set $input_name = str($i) + '_' + $input_name | |
34 #end if | |
35 #set $input_list = $input_list + [$input_name] | |
36 && ln -s $input $input_name | |
37 #end for | |
38 #set $input_names = ','.join($input_list) | |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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39 && |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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40 |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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41 mono `which morpheus` |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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42 -d='$input_names' |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
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43 -db='$searchdb_name' |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
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diff
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44 |
6
01a572a3a716
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 93e02b037bfb37001de2bfb6fc731539c1902e80
galaxyp
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45 #if $searchdb.is_of_type('uniprotxml'): |
0 | 46 #if str( $advanced.adv_options_selector) == "set": |
47 $advanced.noup | |
48 #end if | |
49 #end if | |
50 ## fm vm fdr mvmi precmt precmtv precmtu | |
51 #if str($fdr) != '': | |
52 -fdr=$fdr | |
53 #end if | |
54 #if str($mvmi) != '': | |
55 -mvmi=$mvmi | |
56 #end if | |
57 #if str($precmtv) != '': | |
58 -precmtv=$precmtv | |
59 #end if | |
60 #if str($precmtu) != 'None': | |
61 -precmtu=$precmtu | |
62 #end if | |
63 #if str( $advanced.adv_options_selector) == "set": | |
3 | 64 #if str($advanced.precmt) != 'None': |
65 -precmt=$advanced.precmt | |
66 #end if | |
0 | 67 #if str($advanced.minprecz) != '': |
68 -minprecz=$advanced.minprecz | |
69 #end if | |
70 #if str($advanced.maxprecz) != '': | |
71 -maxprecz=$advanced.maxprecz | |
72 #end if | |
73 #if str($advanced.at) != '': | |
74 -at=$advanced.at | |
75 #end if | |
76 #if str($advanced.rt) != '': | |
77 -rt=$advanced.rt | |
78 #end if | |
79 #if str($advanced.mp) != '': | |
80 -mp=$advanced.mp | |
81 #end if | |
82 #if str($advanced.mmc) != '': | |
83 -mmc=$advanced.mmc | |
84 #end if | |
85 #if str($advanced.prodmt) != 'None': | |
86 -prodmt=$advanced.prodmt | |
87 #end if | |
88 #if str($advanced.prodmtv) != '': | |
89 -prodmtv=$advanced.prodmtv | |
90 #end if | |
91 #if str($advanced.prodmtu) != 'None': | |
92 -prodmtu=$advanced.prodmtu | |
93 #end if | |
94 #if str($advanced.minpmo) != '': | |
95 -minpmo=$advanced.minpmo | |
96 #end if | |
97 #if str($advanced.maxpmo) != '': | |
98 -maxpmo=$advanced.maxpmo | |
99 #end if | |
100 #if str($advanced.imb) != 'None': | |
101 -imb=$advanced.imb | |
102 #end if | |
103 #if str($advanced.ad) != 'None': | |
104 -ad=$advanced.ad | |
105 #end if | |
106 $advanced.acs $advanced.di $advanced.pmc $advanced.cmu $advanced.mmu | |
107 #end if | |
108 #if str($fm) != 'None': | |
109 #set $fmods = str($fm).replace(',',';') | |
110 -fm="$fmods" | |
111 #end if | |
112 #if str($vm) != 'None': | |
113 #set $vmods = str($vm).replace(',',';') | |
114 -vm="$vmods" | |
7
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
parents:
6
diff
changeset
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115 #end if |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
parents:
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diff
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116 #if str($p) != 'None': |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
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117 -p="$p" |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
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118 #end if |
0 | 119 -mt=\${GALAXY_SLOTS:-4} |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
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120 #set $out_list = 'log.txt summary.tsv aggregate.PSMs.tsv aggregate.unique_peptides.tsv aggregate.protein_groups.tsv aggregate.mzid *.pep.xml' |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
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121 #if len($input_list) == 1: |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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122 && ln -s *.log.txt log.txt |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
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diff
changeset
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123 && ln -s *.mzid aggregate.mzid |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
4
diff
changeset
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124 && ln -s *.unique_peptides.tsv aggregate.unique_peptides.tsv |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
4
diff
changeset
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125 && ln -s *.protein_groups.tsv aggregate.protein_groups.tsv |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
4
diff
changeset
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126 && ln -s *.PSMs.tsv aggregate.PSMs.tsv |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
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127 #end if |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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128 && ( basepath=`grep 'Proteome Database:' log.txt | sed 's/Proteome Database: \(.*\)${$searchdb_name}/\1/'`; |
4 | 129 for i in $out_list; do cat \$i | sed "s#\${basepath}\##" > output_reports/\$i; done ) |
0 | 130 ]]></command> |
131 <inputs> | |
4 | 132 <param name="inputs" type="data" format="mzml" multiple="true" label='Indexed mzML' /> |
0 | 133 <param name="searchdb" type="data" format="fasta,uniprotxml" label="MS Protein Search Database: UniProt Xml or Fasta"/> |
134 <param name="fm" type="select" multiple="true" optional="true" label="Fixed Modifications"> | |
3 | 135 <expand macro="fixed_modification_options" /> |
0 | 136 </param> |
137 <param name="vm" type="select" multiple="true" optional="true" label="Variable Modifications"> | |
3 | 138 <expand macro="variable_modification_options" /> |
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cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
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139 </param> |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
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140 <param name="p" type="select" label="Proteases"> |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
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141 <expand macro="proteases_options"/> |
cf9a994e0447
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit 84a14a4f77dc68f80e6f7d9ac562b6d9b46d58b1
galaxyp
parents:
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142 </param> |
0 | 143 <param name="fdr" type="float" value="1" optional="true" min="0.0" max="100.0" label="FDR (Maximum False Discovery Rate percent)" /> |
144 <param name="mvmi" type="integer" value="1024" optional="true" min="0" label="Maximum Variable Modification Isoforms Per Peptide" /> | |
145 <param name="precmtv" type="float" value="10." optional="true" label="Precursor Mass Tolerance Value" /> | |
146 <param name="precmtu" type="select" optional="true" label="Precursor Mass Tolerance Units"> | |
147 <option value="ppm" selected="true">ppm</option> | |
148 <option value="Da">Daltons</option> | |
149 </param> | |
150 <conditional name="advanced"> | |
151 <param name="adv_options_selector" type="select" label="Set advanced options?" help="Provides additional controls"> | |
152 <option value="set">Set</option> | |
153 <option value="do_not_set" selected="True">Do not set</option> | |
154 </param> | |
155 <when value="set"> | |
3 | 156 <param name="precmt" type="select" optional="true" label="Precursor Mass Type"> |
157 <option value="Monoisotopic">Monoisotopic</option> | |
158 <option value="Average">Average</option> | |
159 </param> | |
0 | 160 <param name="noup" type="boolean" truevalue="" falsevalue="-noup=True" checked="True" label="Use G-PTM with Uniprot Proteome Search Databases" /> |
161 <param name="minprecz" type="integer" value="2" optional="true" label="Minimum Unknown Precursor Charge State" /> | |
162 <param name="maxprecz" type="integer" value="4" optional="true" label="Maximum Unknown Precursor Charge State" /> | |
163 <param name="at" type="float" value="" optional="true" min="0.0" label="Absolute MS/MS Intensity Threshold" /> | |
164 <param name="rt" type="float" value="" optional="true" min="0.0" label="Relative MS/MS Intensity Threshold" /> | |
3 | 165 <param name="mp" type="integer" value="400" optional="true" min="-1" label="Maximum Number of MS/MS Peaks" help="to disable set to: -1"/> |
0 | 166 <param name="acs" type="boolean" truevalue="-acs=True" falsevalue="-acs=False" checked="true" optional="true" label="Assign Charge States" /> |
3 | 167 <param name="di" type="boolean" truevalue="-di=True" falsevalue="-di=False" checked="false" optional="true" label="Deisotope" /> |
168 <param name="ad" type="select" optional="true" label="Create Target-Decoy Database On The Fly" | |
0 | 169 help="Set to No if Search Database ia a fasta that already includes decoys."> |
3 | 170 <option value="True" selected="true">Yes</option> |
0 | 171 <option value="False">No</option> |
172 </param> | |
173 <param name="mmc" type="integer" value="2" optional="true" min="0" max="20" label="Maximum Missed Cleavages" /> | |
174 <param name="pmc" type="boolean" truevalue="-pmc=True" falsevalue="-pmc=False" checked="false" optional="true" label="Precursor Monoisotopic Peak Correction" /> | |
175 <param name="minpmo" type="integer" value="" optional="true" label="Minimum Precursor Monoisotopic Peak Correction" /> | |
176 <param name="maxpmo" type="integer" value="" optional="true" label="Maximum Precursor Monoisotopic Peak Correction" /> | |
177 <param name="prodmt" type="select" optional="true" label="Product Mass Type"> | |
178 <option value="Monoisotopic">Monoisotopic</option> | |
179 <option value="Average">Average</option> | |
180 </param> | |
181 <param name="prodmtv" type="float" value="" optional="true" label="Product Mass Tolerance Value" /> | |
182 <param name="prodmtu" type="select" optional="true" label="Product Mass Tolerance Units"> | |
183 <option value="Da">Daltons</option> | |
184 <option value="ppm">ppm</option> | |
185 </param> | |
186 <param name="imb" type="select" optional="true" label="Initiator Methionine Behavior"> | |
187 <option value="Variable">Variable</option> | |
188 <option value="Retain">Retain</option> | |
189 <option value="Cleave">Cleave</option> | |
190 </param> | |
3 | 191 <param name="cmu" type="boolean" truevalue="-cmu=True" falsevalue="-cmu=False" checked="false" optional="true" label="Consider Modified Forms as Unique Peptides" /> |
0 | 192 <param name="mmu" type="boolean" truevalue="-mmu=True" falsevalue="-mmu=False" checked="false" optional="true" label="Minimize Memory Usage" /> |
193 </when> | |
194 <when value="do_not_set"/> | |
195 </conditional> | |
196 </inputs> | |
197 <outputs> | |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
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198 <data name="log" format="txt" label="${tool.name} on ${on_string}: log.txt" from_work_dir="output_reports/log.txt" /> |
4 | 199 <data name="summary" format="txt" label="${tool.name} on ${on_string}: summary.tsv" from_work_dir="output_reports/summary.tsv" /> |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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200 <data name="output_psms" format="tabular" label="${tool.name} on ${on_string}: PSMs.tsv" from_work_dir="output_reports/aggregate.PSMs.tsv" /> |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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201 <data name="output_unique_peptides" format="tabular" label="${tool.name} on ${on_string}: unique_peptides.tsv" from_work_dir="output_reports/aggregate.unique_peptides.tsv" /> |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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202 <data name="output_protein_groups" format="tabular" label="${tool.name} on ${on_string}: protein_groups.tsv" from_work_dir="output_reports/aggregate.protein_groups.tsv" /> |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
parents:
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203 <data name="aggregate_mzid" format="mzid" label="${tool.name} on ${on_string}: aggregate.mzid" from_work_dir="output_reports/aggregate.mzid" /> |
4 | 204 <collection name="morpheus_pep_xmls" type="list" label="${tool.name} on ${on_string} pep.xml"> |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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205 <discover_datasets pattern="(?P<name>.*\.pep.xml)" ext="pepxml" visible="false" directory="output_reports" /> |
4 | 206 </collection> |
0 | 207 </outputs> |
208 <tests> | |
209 <test> | |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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210 <param name="inputs" value="test_input.mzML" ftype="mzml"/> |
0 | 211 <param name="searchdb" value="uniprot-proteome_UP000002311-first100entries.fasta" ftype="fasta"/> |
212 <param name="fdr" value="1"/> | |
213 <param name="mvmi" value="1024"/> | |
214 <param name="precmt" value="Monoisotopic"/> | |
215 <param name="precmtu" value="Da"/> | |
216 <param name="precmtv" value="2.5"/> | |
217 <output name="output_psms"> | |
218 <assert_contents> | |
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f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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219 <not_has_text text="K.TTGSSSSSSSK.K" /> |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
galaxyp
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220 <has_text text="carbamidomethylation of C" /> |
f0202024f80b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/morpheus commit fbd807a9986aaff2a119a70d9c9df97290b80999
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221 <has_text text="(oxidation of M)" /> |
0 | 222 </assert_contents> |
223 </output> | |
224 </test> | |
225 <test> | |
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226 <param name="inputs" value="test_input.mzML" ftype="mzml"/> |
0 | 227 <param name="searchdb" value="uniprot-proteome_UP000002311-first100entries.fasta" ftype="fasta"/> |
228 <param name="fdr" value="1"/> | |
229 <param name="mvmi" value="1024"/> | |
230 <param name="precmt" value="Monoisotopic"/> | |
231 <param name="precmtu" value="Da"/> | |
232 <param name="precmtv" value="2.5"/> | |
233 <param name="fm" value="carbamidomethylation of C"/> | |
234 <param name="vm" value="oxidation of M"/> | |
235 <output name="output_psms"> | |
236 <assert_contents> | |
237 <has_text text="K.VETYM(oxidation of M)ETK.I" /> | |
238 <not_has_text text="K.TTGSSSSSSSK.K" /> | |
239 </assert_contents> | |
240 </output> | |
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241 </test> |
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242 <test> |
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243 <param name="inputs" value="test_input.mzML" ftype="mzml"/> |
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244 <param name="searchdb" value="uniprot-proteome_UP000002311-first100entries.fasta" ftype="fasta"/> |
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245 <param name="fdr" value="1"/> |
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246 <param name="mvmi" value="1024"/> |
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247 <param name="precmt" value="Monoisotopic"/> |
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248 <param name="precmtu" value="Da"/> |
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249 <param name="precmtv" value="2.5"/> |
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250 <param name="fm" value="carbamidomethylation of C"/> |
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251 <param name="vm" value="oxidation of M"/> |
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252 <param name="p" value="trypsin" /> |
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253 <output name="output_psms"> |
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254 <assert_contents> |
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255 <has_text text="K.DGM(oxidation of M)KAYAQNVQQR.E" /> |
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256 <not_has_text text="K.TTGSSSSSSSK.K" /> |
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257 </assert_contents> |
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258 </output> |
0 | 259 </test> |
260 <test> | |
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261 <param name="inputs" value="test_input.mzML" ftype="mzml"/> |
0 | 262 <param name="searchdb" value="uniprot-proteome_UP000002311Condensed-first100entries.xml" ftype="uniprotxml"/> |
263 <param name="fdr" value="1"/> | |
264 <param name="mvmi" value="1024"/> | |
265 <param name="precmt" value="Monoisotopic"/> | |
266 <param name="precmtu" value="Da"/> | |
267 <param name="precmtv" value="2.5"/> | |
268 <param name="fm" value="carbamidomethylation of C"/> | |
269 <param name="vm" value="oxidation of M"/> | |
270 <output name="output_psms"> | |
271 <assert_contents> | |
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272 <has_text text="K.RSPSGNISTNSMR.P" /> |
0 | 273 <not_has_text text="K.KYFLENKIGTDR.R" /> |
274 </assert_contents> | |
275 </output> | |
276 </test> | |
277 <test> | |
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278 <param name="inputs" value="test_input.mzML" ftype="mzml"/> |
0 | 279 <param name="searchdb" value="uniprot-proteome_UP000002311Condensed-first100entries.xml" ftype="uniprotxml"/> |
280 <param name="fdr" value="1"/> | |
281 <param name="mvmi" value="1024"/> | |
282 <param name="precmt" value="Monoisotopic"/> | |
283 <param name="precmtu" value="Da"/> | |
284 <param name="precmtv" value="2.5"/> | |
285 <param name="fm" value="carbamidomethylation of C"/> | |
286 <param name="vm" value="oxidation of M"/> | |
287 <param name="adv_options_selector" value="set"/> | |
288 <param name="prodmtv" value=".01"/> | |
289 <output name="output_psms"> | |
290 <assert_contents> | |
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291 <has_text text="K.KTLKSDGVAGLYR.G" /> |
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292 <not_has_text text="K.RSPSGNISTNSMR.P" /> |
0 | 293 </assert_contents> |
294 </output> | |
295 </test> | |
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296 <test> |
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297 <param name="inputs" value="test_input.mzML" ftype="mzml"/> |
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298 <param name="searchdb" value="uniprot-proteome_UP000002311Condensed-first100entries.xml" ftype="uniprotxml"/> |
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299 <param name="fdr" value="1"/> |
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300 <param name="mvmi" value="1024"/> |
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301 <param name="precmt" value="Monoisotopic"/> |
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302 <param name="precmtu" value="Da"/> |
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303 <param name="precmtv" value="2.5"/> |
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304 <param name="fm" value="carbamidomethylation of C"/> |
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305 <param name="vm" value="oxidation of M"/> |
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306 <param name="p" value="trypsin"/> |
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307 <param name="adv_options_selector" value="set"/> |
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308 <param name="prodmtv" value=".01"/> |
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309 <output name="output_psms"> |
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310 <assert_contents> |
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311 <has_text text="K.KTLKSDGVAGLYR.G" /> |
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312 <not_has_text text="K.KYFLENKIGTDR.R" /> |
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313 </assert_contents> |
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314 </output> |
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315 </test> |
0 | 316 </tests> |
317 <help><![CDATA[ | |
318 Morpheus_ is a database search algorithm for high-resolution tandem mass spectra. | |
319 | |
320 When a Uniprot Proteome XML file is used for the search database, Morpheus will include all known modifications from the proteome in searching for peptide spectral matches. To fetch Uniprot Proteome XML files see: http://www.uniprot.org/help/retrieve_sets | |
321 | |
322 **INPUTS** | |
323 | |
324 - spectral data file in mzML format | |
325 - protein search database, either a fasta file or a uniprot proteome xml file | |
326 | |
327 **OUTPUTS** | |
328 | |
329 - summary.tsv | |
330 - input.log.txt | |
331 - input.PSMs.tsv | |
332 - input.unique_peptides.tsv | |
333 - input.protein_groups.tsv | |
334 - input.pep.xml | |
335 | |
336 .. _Morpheus: http://morpheus-ms.sourceforge.net/ | |
337 | |
338 ]]></help> | |
339 <citations> | |
340 <citation type="doi">10.1021/pr301024c</citation> | |
341 </citations> | |
342 </tool> |