annotate pathwaymatcher.xml @ 6:b43dec819c48 draft default tip

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 421ada25856b841ce17949e80eb3a47fa276a967"
author galaxyp
date Mon, 06 Apr 2020 23:18:10 +0000
parents 00ee806dd5ff
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1 <tool id="reactome_pathwaymatcher" name="Pathway Matcher" version="@PATHWAYMATCHER_VERSION@.@TOOL_SUBVERSION@">
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2 <description>
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3 PathwayMatcher is a software tool to search for pathways related to a list of proteins in Reactome.
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4 </description>
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5 <macros>
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6 <token name="@PATHWAYMATCHER_VERSION@">1.9.1</token>
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7 <token name="@TOOL_SUBVERSION@">4</token>
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8 <xml name="input_fasta">
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9 <param format="fasta" name="input_database" type="data" label="Protein Database"
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10 help="Select FASTA database from history"/>
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11 </xml>
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12 </macros>
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13 <requirements>
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14 <requirement type="package" version="@PATHWAYMATCHER_VERSION@">pathwaymatcher</requirement>
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15 <requirement type="package" version="3.0">zip</requirement>
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16 <requirement type="package" version="8.31">coreutils</requirement>
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17 </requirements>
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18 <stdio>
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19 <exit_code range="1:" level="fatal" description="Job Failed" />
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20 <regex match="java.*Exception" level="fatal" description="Java Exception"/>
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21 <regex match="Could not create the Java virtual machine" level="fatal" description="JVM Error"/>
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22 <regex match="filename not matched: reports/proteins_proteoforms.txt" level="fatal" description="PeptideShaker archive does not contain the proteoforms file. It may have been created by a 1.x PeptideShaker version."/>
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23 </stdio>
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24 <command>
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25 <![CDATA[
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26 #from datetime import datetime
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27 #import json
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28 #import os
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29 #set $exp_str = "Galaxy_Experiment_%s" % datetime.now().strftime("%Y%m%d%H%M%s")
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30 #set $samp_str = "Sample_%s" % datetime.now().strftime("%Y%m%d%H%M%s")
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31 #set $temp_stderr = "pathwaym_stderr"
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32 #set $bin_dir = "bin"
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33
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34 mkdir output;
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35 cwd=`pwd`;
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36 export HOME=\$cwd;
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37
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38 ## If we use peptideshaker 2.x files as inputs, firstly we need to uncompress their proteoforms files.
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39 #for $i, $s in enumerate($match_types)
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40 #if $s.match_type.match_type_selector == "peptideshakerzip_proteoforms"
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41 unzip -j '${$s.match_type.input_peptideshakerzip_proteoforms}' 'reports/proteins_proteoforms.txt' -d './' &&
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42 mv proteins_proteoforms.txt ps_proteoforms_'${$i}'.txt &&
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43 #end if
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44 #end for
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45
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46 #####################
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47 ## Pathway Matcher ##
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48 #####################
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49 pathwaymatcher
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51 #for $i, $s in enumerate($match_types)
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52 ## PROTEOFORMS
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54 #if $s.match_type.match_type_selector == "proteoforms"
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55 #if $s.match_type.proteoform_match_criteria:
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56 match-proteoforms -m '${s.match_type.proteoform_match_criteria}' -i '${s.match_type.input_proteoforms}' -r '${s.match_type.proteoform_range}'
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57 #else:
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58 match-proteoforms -i '${s.match_type.input_proteoforms}' -r '${s.match_type.proteoform_range}'
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59 #end if
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60 #end if
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61
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62 ## PROTEOFORMS FROM PEPTIDESHAKER FILE
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63
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64 #if $s.match_type.match_type_selector == "peptideshakerzip_proteoforms"
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65 #if $s.match_type.proteoform_peptideshakerzip_match_criteria:
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66 match-proteoforms -m '${s.match_type.proteoform_peptideshakerzip_match_criteria}' -i ps_proteoforms_'${$i}'.txt -r '${s.match_type.proteoform_peptideshakerzip_range}'
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67 #else:
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68 match-proteoforms -i ps_proteoforms_'${$i}'.txt -r '${s.match_type.proteoform_peptideshakerzip_range}'
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69 #end if
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70 #end if
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73 ## GENES
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75 #if $s.match_type.match_type_selector == "gene"
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76 match-genes -i '${s.match_type.input_gene}'
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77 #end if
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80 ## PROTEINS
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82 #if $s.match_type.match_type_selector == "uniprot"
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83 match-uniprot -i '${s.match_type.input_uniprot}'
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84 #end if
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85
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86 #if $s.match_type.match_type_selector == "ensembl"
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87 match-ensembl -i '${s.match_type.input_ensembl}'
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88 #end if
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89
0
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90
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91 ## GENETIC VARIANTS
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92
3
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93 #if $s.match_type.match_type_selector == "vcf"
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94 match-vcf -i '${s.match_type.input_vcf}'
0
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95 #end if
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96
3
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97 #if $s.match_type.match_type_selector == "chrbp"
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98 match-chrbp -i '${s.match_type.input_chrbp}'
0
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99 #end if
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100
3
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101 #if $s.match_type.match_type_selector == "rsid"
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102 match-rsids -i '${s.match_type.input_rsid}'
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103 #end if
0
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104
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105
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106 ## PEPTIDES
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107
3
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108 #if $s.match_type.match_type_selector == "peptide"
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109 match-peptides -i '${s.match_type.input_peptide}'
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110 -f '${s.match_type.input_database}'
0
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111 #end if
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112
3
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113 #if $s.match_type.match_type_selector == "modifiedpeptide"
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114 match-modified-peptides -i '${s.match_type.input_modifiedpeptide}'
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115 -f '${s.match_type.input_database}'
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116 -m '${s.match_type.modifiedpeptide_match_criteria}'
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117 -r '${s.match_type.modifiedpeptide_ptm_range}'
0
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118 #end if
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119 #end for
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120
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121 ## OUTPUT OPTIONS
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122
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123 #if $output_options.search_top_level_info:
3
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124 -T
0
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125 #end if
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126
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127 #set $output_graphs_list = str($output_options.output_graphs).split(',')
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128
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129 #if 'gg' in $output_graphs_list:
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130 -gg
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131 #end if
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132
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133 #if 'gu' in $output_graphs_list:
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134 -gu
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135 #end if
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136
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137 #if 'gp' in $output_graphs_list:
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138 -gp
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139 #end if
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140
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141 ## We create a folder to contain graphs files.
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142 #if $output_options.output_graphs:
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143 && mkdir "graphs"
0
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144 #end if
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145 #if 'gg' in $output_graphs_list:
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146 && mv -t "graphs" "geneExternalEdges.tsv" "geneInternalEdges.tsv" "geneVertices.tsv"
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147 #end if
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148 #if 'gu' in $output_graphs_list:
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149 && mv -t "graphs" "proteinExternalEdges.tsv" "proteinInternalEdges.tsv" "proteinVertices.tsv"
0
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150 #end if
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151 #if 'gp' in $output_graphs_list:
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152 && mv -t "graphs" "proteoformExternalEdges.tsv" "proteoformInternalEdges.tsv" "proteoformVertices.tsv"
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153 #end if
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154 ]]>
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155 </command>
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156 <inputs>
3
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157 <repeat name="match_types" title="Match" min="1">
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158 <conditional name="match_type">
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159 <param name="match_type_selector" type="select" label="Match type"
0
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160 help="">
3
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161 <option value="proteoforms">Proteoforms</option>
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162 <option value="peptideshakerzip_proteoforms">Proteoforms from Peptideshaker 2.x Archive</option>
3
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163 <option value="gene">Genes</option>
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164 <option value="uniprot">Proteins - UniProt Accession list</option>
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165 <option value="ensembl">Proteins - Ensembl identifier list</option>
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166 <option value="vcf">Genetic variants - Variant Call Format Specification</option>
0
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167 <option value="chrbp">Genetic variants - Chromosomes and base pairs</option>
3
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168 <option value="rsid">Genetic variants - SNP rsId list</option>
0
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169 <option value="peptide">Peptides - Simple list</option>
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170 <option value="modifiedpeptide">Peptides - Peptide List with PTM types and sites</option>
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171 </param>
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172
3
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173 <!-- Proteoforms -->
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174 <when value="proteoforms">
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175 <param format="txt" name="input_proteoforms" type="data" label="Proteoforms"
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176 help="A proteoform defines a specific state of a protein.
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177 It is composed by the protein UniProt accession, isoform and set of post translational modifications.
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178 The input file contains one line for each proteoform. Each PTM is specified using a modification
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179 identifier and a site, separated by ':'(semicolon). For example: '00046:133'.
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180 The identifier is a 5 digit id from the PSI-MOD Protein Modification Onthology [6]."/>
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181
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182 <param name="proteoform_match_criteria" type="select" label="Proteoform match criteria">
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183 <option value="STRICT">STRICT</option>
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184 <option value="SUPERSET">SUPERSET</option>
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185 <option value="SUPERSET_NO_TYPES">SUPERSET NO TYPES</option>
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186 <option value="SUBSET" selected="True">SUBSET</option>
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187 <option value="SUBSET_NO_TYPES">SUBSET NO TYPES</option>
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188 <option value="ONE">ONE</option>
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189 <option value="ONE_NO_TYPES">ONE_NO_TYPES</option>
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190 <option value="ACCESSION">ACCESSION</option>
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191 </param>
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192
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193 <param name="proteoform_range" type="integer" value="0" label="Integer range of error for PTM sites" optional="true"
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194 help="Plus minus positions for the same PTM site"/>
0
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195 </when>
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196
3
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197 <when value="peptideshakerzip_proteoforms">
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198 <param format="zip" name="input_peptideshakerzip_proteoforms" type="data" label="Proteoforms from Peptideshaker 2.x Archive"
3
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199 help="A proteoform defines a specific state of a protein.
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200 It is composed by the protein UniProt accession, isoform and set of post translational modifications.
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201 The input file contains one line for each proteoform. Each PTM is specified using a modification
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202 identifier and a site, separated by ':'(semicolon). For example: '00046:133'.
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203 The identifier is a 5 digit id from the PSI-MOD Protein Modification Onthology [6]."/>
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204
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205 <param name="proteoform_peptideshakerzip_match_criteria" type="select" label="Proteoform match criteria">
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206 <option value="STRICT">STRICT</option>
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207 <option value="SUPERSET">SUPERSET</option>
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208 <option value="SUPERSET_NO_TYPES">SUPERSET NO TYPES</option>
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209 <option value="SUBSET" selected="True">SUBSET</option>
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210 <option value="SUBSET_NO_TYPES">SUBSET NO TYPES</option>
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211 <option value="ONE">ONE</option>
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212 <option value="ONE_NO_TYPES">ONE_NO_TYPES</option>
4
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213 <option value="ACCESSION">ACCESSION</option>
3
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214 </param>
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215
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216 <param name="proteoform_peptideshakerzip_range" type="integer" value="0" label="Integer range of error for PTM sites" optional="true"
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217 help="Plus minus positions for the same PTM site"/>
0
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218 </when>
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219
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220
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221 <!-- Genes -->
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222 <when value="gene">
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223 <param format="txt" name="input_gene" type="data" label="Genes"
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224 help="File with a one gene name in each line. Genes follow the HUGO gene nomenclature[3]."/>
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225 </when>
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226
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227
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228 <!-- Proteins -->
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229 <when value="uniprot">
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230 <param format="txt" name="input_uniprot" type="data" label="UniProt Accession list"
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231 help="File with a one Uniprot Accession [4] in each line."/>
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232 </when>
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233
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234 <when value="ensembl">
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235 <param format="txt" name="input_ensembl" type="data" label="Ensembl identifier list"
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236 help="File with a one Ensembl identifier [5] in each line."/>
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237 </when>
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238
3
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239 <!-- Genetic variants -->
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240
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241 <when value="vcf">
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242 <param format="vcf" name="input_vcf" type="data" label="Variant Call Format Specification"
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243 help="The input follows the Variant Call Format Specification[2] v4.3.
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244 It also allows the possibility to specify only the first 4 columns in the data section of the file:
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245 CHROM, POS, ID, REF. "/>
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246 </when>
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247
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248 <when value="chrbp">
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249 <param format="txt" name="input_chrbp" type="data" label="Chromosomes and base pairs"
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250 help="Genetic variants can also be represented using the chromosome and the base pair numbers.
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251 The input should be sorted by chromosome number and then by base pair. "/>
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252 </when>
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253
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254 <when value="rsid">
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255 <param format="txt" name="input_rsid" type="data" label="SNP rsId list"
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256 help="The file contains one rsid identifier as defined in dbSNP[1] on each row.
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257 The list must be ordered by chromosome and base pair (bp). The list must not have duplicates.
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258 All rsids must appear in the human assembly GRCh37.p13. "/>
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259 </when>
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260
0
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261
3
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262 <!-- Peptides -->
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263 <when value="peptide">
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264 <param format="txt" name="input_peptide" type="data" label="Simple list"
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265 help="File with a one peptide sequence in each line."/>
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266
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267 <expand macro="input_fasta" />
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268
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269 </when>
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270
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271 <when value="modifiedpeptide">
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272 <param format="txt" name="input_modifiedpeptide" type="data" label="Peptide List with PTM types and sites"
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273 help="Each line of the file corresponds to a single peptide with post-translational modifications."/>
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274
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275 <expand macro="input_fasta" />
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276
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277 <param name="modifiedpeptide_match_criteria" type="select" label="Proteoform match criteria. Only modified peptides.">
0
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278 <option value="STRICT">STRICT</option>
3
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279 <option value="SUPERSET">SUPERSET</option>
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280 <option value="SUPERSET_NO_TYPES">SUPERSET NO TYPES</option>
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281 <option value="SUBSET" selected="True">SUBSET</option>
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282 <option value="SUBSET_NO_TYPES">SUBSET NO TYPES</option>
0
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283 <option value="ONE">ONE</option>
3
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284 <option value="ONE_NO_TYPES">ONE_NO_TYPES</option>
4
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285 <option value="ACCESSION">ACCESSION</option>
0
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286 </param>
3
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287
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288 <param name="modifiedpeptide_ptm_range" type="integer" value="0" label="PTM position range" optional="true"
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289 help="Integer number margin error for sites of PTMs. Only for modified peptides."/>
0
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290 </when>
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291
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292 </conditional>
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293
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294 </repeat>
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295
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296 <section name="output_options" expanded="true" title="Output options">
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297
3
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298 <param name="search_top_level_info" type="select" label="Add Top Level Pathways in the search result.">
0
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299 <option value="0" selected="True">False</option>
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300 <option value="1">True</option>
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301 </param>
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302
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303 <param name="output_graphs" type="select" display="checkboxes" multiple="True" label="Connection graphs"
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304 help="Generates a zipped file with connection graphs as an additional output when executing the pathway search and analysis.
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305 The graph can use genes, proteins or proteoforms as vertices.">
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306 <option value="gg">Genes</option>
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307 <option value="gu">Proteins</option>
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308 <option value="gp">Proteoforms</option>
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309 </param>
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310
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311 </section>
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312
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313 </inputs>
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314 <outputs>
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315 <data name="search" format="tsv" from_work_dir="search.tsv" label="${tool.name} - search on ${on_string}" />
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316 <data name="analysis" format="tsv" from_work_dir="analysis.tsv" label="${tool.name} - analysis on ${on_string}" />
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317 <collection name="graphs_files" type="list" label="${tool.name} - graphs on ${on_string}" >
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318 <filter>output_options['output_graphs'] != None</filter>
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319 <discover_datasets pattern="__name_and_ext__" directory="graphs" ext="tsv"/>
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320 </collection>
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321 </outputs>
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322
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323
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324 <tests>
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325
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326 <!-- Test that genes search works -->
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327 <test>
3
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328 <repeat name="match_types">
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329 <conditional name="match_type">
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330 <param name="match_type_selector" value="gene"/>
0
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331 <param name="input_gene" value="genes.txt" ftype="txt" />
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332 </conditional>
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333 </repeat>
4
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334 <output name="search" ftype="tsv" >
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335 <assert_contents>
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336 <has_line_matching expression="CFTR\tP13569\tR-HSA-383190\tHCO3- transport through ion channel\tR-HSA-382556\tABC-family proteins mediated transport\tR-HSA-382551\tTransport of small molecules"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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337 <has_line_matching expression="TGFB1\tP01137\tR-HSA-170850\tPhosphorylated SMAD2/3 dissociates from TGFBR\tR-HSA-170834\tSignaling by TGF-beta Receptor Complex\tR-HSA-162582\tSignal Transduction"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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338 <has_line_matching expression="SCNN1B\tP51168\tR-HSA-2682349\tRAF1:SGK:TSC22D3:WPP ubiquitinates SCNN channels\tR-HSA-382551\tTransport of small molecules\tR-HSA-382551\tTransport of small molecules"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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339 <has_line_matching expression="TNFRSF1A\tP19438\tR-HSA-5626988\tTNF-alpha:TNFR1 binds NSMAF\tR-HSA-75893\tTNF signaling\tR-HSA-162582\tSignal Transduction"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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340 <has_n_columns n="8" />
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341 </assert_contents>
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342 </output>
0
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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343 </test>
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344
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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345 <!-- Test graphs from proteoforms -->
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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346 <test>
3
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347 <repeat name="match_types">
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348 <conditional name="match_type">
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349 <param name="match_type_selector" value="proteoforms"/>
0
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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350 <param name="input_proteoforms" value="proteoforms.txt" ftype="txt" />
3
f3be3f08dcfa planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 79d03b32b395b4c1385ff934251b17ea8950187b
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351 <param name="proteoform_match_criteria" value="SUBSET"/>
0
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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352 </conditional>
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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353 </repeat>
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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354 <param name="output_graphs" value="gg,gu,gp" />
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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355 <output_collection name="graphs_files" type="list">
4
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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356 <element name="geneExternalEdges" ftype="tsv">
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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357 <assert_contents>
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358 <has_line_matching expression="ERBB4\tSRC\tReaction\tR-HSA-1963586\tcatalyst\tcatalyst"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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359 <has_line_matching expression="RNF85\tSRC1\tReaction\tR-HSA-2316434\tcatalyst\tcatalyst"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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360 <has_line_matching expression="CBL2\tUNQ2500/PRO5800\tReaction\tR-HSA-5654677\tinput\tinput"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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361 <has_line_matching expression="FN1\tPRKM3\tReaction\tR-HSA-5672973\tcatalyst\toutput"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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362 <has_line_matching expression="MAPK11\tMAPK12\tSet\tR-HSA-448855\tmember/candidate\tmember/candidate"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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363 <has_line_matching expression="SAPK2B\tSAPK3\tSet\tR-HSA-448855\tmember/candidate\tmember/candidate"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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364 <has_n_columns n="6" />
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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365 </assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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366 </element>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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367 <element name="geneInternalEdges" ftype="tsv" file="proteoforms_graphs/geneInternalEdges.tsv" compare="sim_size" delta="10"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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368 <element name="geneVertices" ftype="tsv">
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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369 <assert_contents>
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370 <has_line_matching expression="ERK1\tMitogen-activated protein kinase 3 shortName:MAP kinase 3 shortName:MAPK 3 ecNumber2.7.11.24/ecNumber"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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371 <has_line_matching expression="CREB1\tCyclic AMP-responsive element-binding protein 1 shortName:CREB-1 shortName:cAMP-responsive element-binding protein 1 ]"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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372 <has_line_matching expression="SAPK2\tMitogen-activated protein kinase 11 shortName:MAP kinase 11 shortName:MAPK 11 ecNumber2.7.11.24/ecNumber"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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373 <has_line_matching expression="STAT5\tSignal transducer and activator of transcription 5A ]"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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374 <has_n_columns n="2" />
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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375 </assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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diff changeset
376 </element>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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377 <element name="proteinExternalEdges" ftype="tsv">
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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378 <assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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379 <has_line_matching expression="P12931\tP56975\tReaction\tR-HSA-1963586\tcatalyst\toutput"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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380 <has_line_matching expression="P12931\tP51617\tReaction\tR-HSA-2316434\tcatalyst\tregulator"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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381 <has_line_matching expression="P12931\tQ8N302\tReaction\tR-HSA-6802933\tcatalyst\tinput"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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diff changeset
382 <has_line_matching expression="O95352\tP12931\tComplex\tR-HSA-6802695\tcomponent\tcomponent"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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diff changeset
383 <has_line_matching expression="Q15759\tQ16539\tSet\tR-HSA-198703\tmember/candidate\tmember/candidate"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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384 <has_n_columns n="6" />
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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385 </assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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386 </element>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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387 <element name="proteinInternalEdges" ftype="tsv">
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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388 <assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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389 <has_line_matching expression="P00519\tP12931\tReaction\tR-HSA-8942607\tcatalyst\tcatalyst"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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390 <has_line_matching expression="P12931\tQ9UQC2\tReaction\tR-HSA-205234\toutput\toutput"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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391 <has_line_matching expression="P12931\tP27361\tReaction\tR-HSA-6802933\tinput\toutput"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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392 <has_line_matching expression="P12931\tP27361\tReaction\tR-HSA-6802910\tinput\tinput"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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393 <has_line_matching expression="P00519\tP12931\tSet\tR-HSA-8942611\tmember/candidate\tmember/candidate"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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394 <has_line_matching expression="P12931\tP42229\tComplex\tR-HSA-1469999\tcomponent\tcomponent"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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395 <has_n_columns n="6" />
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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396 </assert_contents>
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397 </element>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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398 <element name="proteinVertices" ftype="tsv">
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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399 <assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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400 <has_line_matching expression="P16220\tCyclic AMP-responsive element-binding protein 1 shortName:CREB-1 shortName:cAMP-responsive element-binding protein 1 ]"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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diff changeset
401 <has_line_matching expression="P27361\tMitogen-activated protein kinase 3 shortName:MAP kinase 3 shortName:MAPK 3 ecNumber2.7.11.24/ecNumber"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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402 <has_line_matching expression="P42229\tSignal transducer and activator of transcription 5A ]"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
parents: 3
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403 <has_n_columns n="2" />
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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404 </assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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405 </element>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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diff changeset
406 <element name="proteoformExternalEdges" ftype="tsv">
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
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407 <assert_contents>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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diff changeset
408 <has_line_matching expression="O43597;00048:55,00048:227\tP22681;\tComplex\tR-HSA-934576\tcomponent\tcomponent"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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409 <has_line_matching expression="P00533;00048:992,00048:1045,00048:1068,00048:1086,00048:1148,00048:1173\tP22681;\tComplex\tR-HSA-182935\tcomponent\tcomponent"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
parents: 3
diff changeset
410 <has_line_matching expression="P27361;00047:202,00048:204\tP28482;00047:185,00048:187\tSet\tR-HSA-450307\tmember/candidate\tmember/candidate"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
galaxyp
parents: 3
diff changeset
411 <has_line_matching expression="P12931;00048:419\tQ01196;\tComplex\tR-HSA-8937687\tcomponent\tcomponent"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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412 <has_line_matching expression="P15509;\tP42229;00048:694\tSet\tR-HSA-913465\tmember/candidate\tmember/candidate"/>
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413 <has_n_columns n="6" />
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414 </assert_contents>
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415 </element>
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416 <element name="proteoformInternalEdges" ftype="tsv">
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417 <assert_contents>
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418 <has_line_matching expression="P27361;00047:202,00048:204\tQ15759;00047:180,00048:182\tSet\tR-HSA-450307\tmember/candidate\tmember/candidate"/>
36cc1538f775 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit 1d08bec4a320f62652392f08c2481bbe215e37fa
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419 <has_line_matching expression="P27361;00047:202,00048:204\tQ15759;00047:180,00048:182\tSet\tR-HSA-450307\tmember/candidate\tmember/candidate"/>
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420 <has_n_columns n="6" />
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421 </assert_contents>
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422 </element>
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423 <element name="proteoformVertices" ftype="tsv">
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424 <assert_contents>
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425 <has_line_matching expression="P16220;00046:133\tCyclic AMP-responsive element-binding protein 1 shortName:CREB-1 shortName:cAMP-responsive element-binding protein 1 ]"/>
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426 <has_line_matching expression="Q15759;00047:180,00048:182\tMitogen-activated protein kinase 11 shortName:MAP kinase 11 shortName:MAPK 11 ecNumber2.7.11.24/ecNumber"/>
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427 <has_line_matching expression="P42229;00048:694\tSignal transducer and activator of transcription 5A ]"/>
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428 <has_n_columns n="2" />
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429 </assert_contents>
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430 </element>
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431
0
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432 </output_collection>
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433 </test>
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434
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435 </tests>
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436 <help>
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437
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438 .. class:: infomark
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439
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440 **Introduction**
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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441
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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442 Biological pathways are an excellent resource to analyze the causes and consequences of certain phenotypes.
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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443 Most of the components of the pathways are proteins. When searching for relevant pathways to perform analysis
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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444 of a patient sample proteins, it is very common to lose information due to lack of precision in the search.
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445
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446 This leads to result sets with many extra selected pathways that are not really related to the input sample.
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447
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448 .. class:: infomark
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449
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450 **What it does**
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451
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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452 We present more fine grained approach to search, not only with the gene names, but also with post translational
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453 modifications of the proteins, such as phosphorylation.
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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454
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455 Ultimately, any omics dataset with its mutations and
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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456 modifications will be mapped directly to the functional knowledgebases allowing the functional interpretation by
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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457 researchers and clinicians.
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458
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459 The reference database used is Reactome, a free, open source, curated and peer reviewed database of biological reactions, that contains the quality data needed for this type of fine grained search. database of biological reactions. It can be readily queried with omics datasets, and we are improving its features by extending the matching the clinical data to the biological pathways. Not only will the gene names be used, but also mutations or post translational modifications such as phosphorylation.
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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460
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461
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462 .. class:: infomark
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463
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464 **Inputs and outputs**
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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465
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466 PathwayMatcher can search for reactions and pathways with various input types, and generates mapping files to the database.
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467
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468 The input can be:
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469
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470 - Genetic variants
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471 - Genes
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472 - Peptides
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473 - Protein
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474 - Proteoforms
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475
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476 The output of PathwayMatcher is composed of two files, the Reaction and Pathway mapping and the statistical analysis of the relevant pathways.
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477
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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478 .. class:: infomark
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479
2
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480 **Try it now**
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481
4
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482 You can easily test PathwayMatcher functionality creating text files with the example data we provide with proteoforms and proteins information of Cystic Fibrosis:
2
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483
4
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484 **Proteoforms**:
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485
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486 ::
2
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487
4
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488 P01137;
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489 P10145;
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490 P12318;
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491 P12318;00048:288,00048:304
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492 P13569;
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493 P13569;01148:null
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494 P19438;
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495 P37088;
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496 P37088;01148:null
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497 P51168;
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498 P51170;
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499 P51170;01148:null
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500 Q14CN2;
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501 Q16623;
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502 Q9UJW0;
2
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503
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504 **Proteins**:
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505 ::
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506
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507 P13569
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508 P01137
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509 P12318
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510 Q9UJW0
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511 P51168
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512 P51170
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513 P37088
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514 P19438
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515 Q14CN2
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516 Q16623
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517 P10145
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518
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519 After copying and pasting this data into new text files, you can upload them to Galaxy by directly using the Galaxy upload dialog (the button with the arrow pointing up in the top-left area, and then choosing *Choose local file*).
2
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520
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521 Once they appear in green in your history, they have been uploaded and you can use them as inputs in PathwayMatcher.
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522
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523 Now, select *Proteoforms* as input type and, in the next drop-down list, the entry of your history corresponding to the proteoforms file you uploaded.
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524
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525 Then, click on *insert input* to add a new PathwayMatcher input for the proteins. Select *Proteins - Uniprot accession list* as input type and, in the next drop-down list, the entry in your history corresponding to this proteins file.
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526
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527 **Everything is ready**. By clicking on *Execute* PathwayMatcher will run with your chosen inputs and, after a short time, it will show in your history two more files with the search results and its analysis.
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528
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529 .. class:: infomark
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530
0
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531 Information included with this tool is a brief summary of the main one included in PathwayMatcher_.
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532
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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533 Specific information about PathwayMatcher's Input_ and Output_ may also be found there.
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534
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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535 .. class:: infomark
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536
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537 **References**
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538
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539 [1] dbSNP_
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540
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541 [2] VCF v4.3:
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542 http://samtools.github.io/hts-specs/VCFv4.3.pdf
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543
1e38071ab9d5 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pathwaymatcher commit c12a99d3da62c83b779175b3c9022e7d5622053a
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544 [3] genenames.org: the HGNC resources in 2015. Nucleic Acids Res. 2015 Jan;43(Database issue):D1079-85. doi: 10.1093/nar/gku1071. :
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545 https://www.ncbi.nlm.nih.gov/pubmed/25361968
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546
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547 [4] UniProt: the universal protein knowledgebase. Nucleic Acids Res. 45: D158-D169 (2017):
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548 http://dx.doi.org/doi:10.1093/nar/gkw1099
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549
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550 [5] Ensembl:
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551 https://www.ensembl.org/info/genome/stable_ids/index.html
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552
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553 [6] The PSI-MOD community standard for representation of protein modification data. Nature Biotechnology 26, 864 - 866 (2008):
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554 http://www.nature.com/nbt/journal/v26/n8/full/nbt0808-864.html
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555
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556 .. _dbSNP: https://www.ncbi.nlm.nih.gov/projects/SNP/
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557 .. _PathwayMatcher: https://github.com/PathwayAnalysisPlatform/PathwayMatcher
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558 .. _Input: https://github.com/PathwayAnalysisPlatform/PathwayMatcher/wiki/Input
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559 .. _Output: https://github.com/PathwayAnalysisPlatform/PathwayMatcher/wiki/Output
0
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560
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561 </help>
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562
3
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563 <citations>
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564 <citation type="doi">doi:10.1093/gigascience/giz088</citation>
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565 </citations>
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566
0
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567 </tool>