annotate unipept.xml @ 0:b33376bf2290 draft

planemo upload for repository http://unipept.ugent.be/apidocs commit 704a0414b2547298b2596219998002491505d927-dirty
author galaxyp
date Wed, 24 Oct 2018 14:45:18 -0400
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1 <tool id="unipept" name="Unipept" version="4.0.0">
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2 <description>retrieve taxonomy for peptides</description>
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3 <macros>
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4 <xml name="equate_il">
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5 <param name="equate_il" type="boolean" truevalue="-e" falsevalue="" checked="true" label="Equate isoleucine and leucine">
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6 <help>isoleucine (I) and leucine (L) are equated when matching tryptic peptides to UniProt records</help>
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7 </param>
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8 </xml>
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9 <xml name="extra">
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10 <param name="extra" type="boolean" truevalue="-x" falsevalue="" checked="false" label="retrieve extra information">
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11 <yield/>
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12 </param>
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13 </xml>
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14 <xml name="extra_true">
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15 <param name="extra" type="boolean" truevalue="-x" falsevalue="" checked="true" label="retrieve extra information">
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16 <yield/>
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17 </param>
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18 </xml>
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19 <xml name="names">
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20 <param name="names" type="boolean" truevalue="-n" falsevalue="" checked="true" label="names" >
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21 <help>return the names in complete taxonomic lineage</help>
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22 </param>
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23 <param name="allfields" type="boolean" truevalue="-A" falsevalue="" checked="false" label="allfields" >
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24 <help>include fields for most specific taxonomic classification: taxon_rank,taxon_id,taxon_name before lineage</help>
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25 </param>
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26 </xml>
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27 <xml name="domains">
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28 <param name="domains" type="boolean" truevalue="-D" falsevalue="" checked="false" label="group responses by GO namespace (biological process, molecular function, cellular component)">
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29 <yield/>
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30 </param>
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31 </xml>
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32 <xml name="selected_outputs">
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33 <param name="selected_outputs" type="select" multiple="true" display="checkboxes" label="Choose outputs">
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34 <option value="tsv" selected="true">Tabular with one line per peptide</option>
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35 <option value="csv">Comma Separated Values (.csv) with one line per peptide</option>
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36 <option value="json">JSON Taxomony Tree (for pept2lca, pep2taxa, and peptinfo)</option>
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37 <yield/>
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38 <option value="unmatched">Unmatched peptides</option>
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39 </param>
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40 </xml>
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41 </macros>
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42 <requirements>
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43 <requirement type="package" version="2.7">python</requirement>
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44 </requirements>
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45 <stdio>
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46 <exit_code range="1:" />
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47 </stdio>
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48 <command><![CDATA[
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49 python '$__tool_directory__/unipept.py'
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50 ## --url 'http://morty.ugent.be/api/v1' -g -M 1
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51 --api=$unipept.api
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52 $unipept.equate_il $unipept.extra
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53 #if $unipept.api in ['pept2lca', 'pept2taxa', 'peptinfo']:
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54 $unipept.names $unipept.allfields
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55 #end if
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56 #if $unipept.api in ['pept2go', 'pept2funct', 'peptinfo']:
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57 $unipept.domains
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58 #end if
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59 $strict
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60 #if str($peptide_src.fmt) == 'proteomic':
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61 #if $peptide_src.input.datatype.file_ext == 'fasta':
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62 --fasta="$peptide_src.input"
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63 #elif $peptide_src.input.datatype.file_ext == 'mzid':
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64 --mzid="$peptide_src.input"
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65 #elif $peptide_src.input.datatype.file_ext == 'pepxml':
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66 --pepxml="$peptide_src.input"
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67 #end if
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68 #elif str($peptide_src.fmt) == 'tabular':
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69 --tabular="$peptide_src.input_tsv"
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70 #set $col = int(str($peptide_src.column)) - 1
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71 --column=$col
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72 #elif str($peptide_src.fmt) == 'fasta':
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73 --fasta="$peptide_src.input_fasta"
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74 #elif str($peptide_src.fmt) == 'mzid':
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75 --mzid="$peptide_src.input_mzid"
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76 #elif str($peptide_src.fmt) == 'pepxml':
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77 --pepxml="$peptide_src.input_pepxml"
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78 #end if
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79 #if 'json' in str($selected_outputs).split(',') and str($unipept.api) in ['pept2lca', 'pept2taxa', 'peptinfo']:
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80 --json $output_json
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81 #end if
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82 #if 'ec_json' in str($selected_outputs).split(',') and str($unipept.api) in ['pept2ec', 'pept2funct', 'peptinfo']:
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83 --ec_json $output_ec_json
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84 #end if
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85 #if 'tsv' in str($selected_outputs).split(','):
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86 --tsv $output_tsv
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87 #end if
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88 #if 'csv' in str($selected_outputs).split(','):
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89 --csv $output_csv
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90 #end if
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91 #if 'ec_tsv' in str($selected_outputs).split(',') and str($unipept.api) in ['pept2ec', 'pept2funct', 'peptinfo']:
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92 --ec_tsv $output_ec_tsv
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93 #end if
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94 #if 'go_tsv' in str($selected_outputs).split(',') and str($unipept.api) in ['pept2go', 'pept2funct', 'peptinfo']:
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95 --go_tsv $output_go_tsv
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96 #end if
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97 #if 'unmatched' in str($selected_outputs).split(','):
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98 --unmatched $output_unmatched
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99 #end if
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100 ]]></command>
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101 <inputs>
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102 <conditional name="unipept">
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103 <param name="api" type="select" label="Unipept application" >
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104 <option value="pept2lca" selected="true">pept2lca: lowest common ancestor</option>
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105 <option value="pept2taxa">pept2taxa: organisms associated with the UniProt entries containing a given tryptic peptide</option>
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106 <option value="pept2prot">pept2prot: UniProt entries containing a given tryptic peptide</option>
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107 <option value="pept2ec">pept2ec: Tryptic peptides and associated EC terms</option>
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108 <option value="pept2go">pept2go: Tryptic peptides and associated GO terms</option>
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109 <option value="pept2funct">pept2funct: Tryptic peptides and associated EC and GO terms</option>
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110 <option value="peptinfo">peptinfo: Tryptic peptides and associated EC and GO terms and lowest common ancestor taxonomy</option>
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111 </param>
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112 <when value="pept2lca">
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113 <expand macro="equate_il" />
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114 <expand macro="extra">
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115 <help>Return the complete lineage of the taxonomic lowest common ancestor, and include ID fields.</help>
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116 </expand>
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117 <expand macro="names" />
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118 </when>
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119 <when value="pept2taxa">
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120 <expand macro="equate_il" />
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121 <expand macro="extra_true">
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122 <help>Return the complete lineage of each organism, and include ID fields.</help>
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123 </expand>
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124 <expand macro="names" />
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125 </when>
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126 <when value="pept2prot">
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127 <expand macro="equate_il" />
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128 <expand macro="extra">
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129 <help>Return additional information fields: taxon_name, ec_references, go_references, refseq_ids, refseq_protein_ids, insdc_ids, insdc_protein_ids
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130 WARNING: Huge perfomance penalty! Only use for small number of peptides when the extra infomation is required.
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131 </help>
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132 </expand>
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133 </when>
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134 <when value="pept2ec">
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135 <expand macro="equate_il" />
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136 <expand macro="extra_true">
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137 <help>Return the name of the EC-number.
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138 </help>
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139 </expand>
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140 </when>
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141 <when value="pept2go">
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142 <expand macro="equate_il" />
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143 <expand macro="extra_true">
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144 <help>Return the name of the GO-term.
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145 </help>
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146 </expand>
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147 <expand macro="domains" />
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148 </when>
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149 <when value="pept2funct">
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150 <expand macro="equate_il" />
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151 <expand macro="extra_true">
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152 <help>Return the name of the EC-number and GO-term.
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153 </help>
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154 </expand>
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155 <expand macro="domains" />
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156 </when>
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157 <when value="peptinfo">
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158 <expand macro="equate_il" />
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159 <expand macro="extra_true">
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160 <help>Return the name of the EC-number and GO-term.
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161 </help>
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162 </expand>
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163 <expand macro="domains" />
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164 <expand macro="names" />
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165 </when>
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166 </conditional>
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167 <conditional name="peptide_src">
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168 <param name="fmt" type="select" label="Peptides input format" >
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169 <option value="proteomic">proteomics formats: mzid, pepxml, fasta</option>
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170 <option value="tabular">tabular</option>
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171 <option value="fasta">fasta</option>
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172 <option value="mzid">mzid</option>
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173 <option value="pepxml">pepxml</option>
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174 </param>
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175 <when value="proteomic">
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176 <param name="input" type="data" format="mzid,pepxml,fasta" label="Peptide Input" />
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177 </when>
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178 <when value="tabular">
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179 <param name="input_tsv" type="data" format="tabular" label="Tabular Input Containing Peptide column" />
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180 <param name="column" label="Select column with peptides" type="data_column" numerical="false" data_ref="input_tsv" />
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181 </when>
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182 <when value="fasta">
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183 <param name="input_fasta" type="data" format="fasta" label="Peptide Fasta Input" />
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184 </when>
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185 <when value="mzid">
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186 <param name="input_mzid" type="data" format="mzid" label="mzIndetML Input" />
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187 </when>
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188 <when value="pepxml">
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189 <param name="input_pepxml" type="data" format="pepxml" label="mzIndetML Input" />
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190 </when>
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191 </conditional>
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192 <param name="selected_outputs" type="select" multiple="true" display="checkboxes" label="Choose outputs">
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193 <option value="tsv" selected="true">Tabular with one line per peptide</option>
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194 <option value="csv">Comma Separated Values (.csv) with one line per peptide</option>
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195 <option value="json">JSON Taxomony Tree (for pept2lca, pep2taxa, and peptinfo)</option>
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196 <option value="go_tsv">Peptide GO terms in normalized tabular (for pept2go, pept2funct, and peptinfo)</option>
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197 <option value="ec_tsv">Peptide EC terms in normalized tabular (for pept2ec, pept2funct, and peptinfo)</option>
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198 <option value="ec_json">JSON EC Coverage Tree (for pept2ec, pep2funct, and peptinfo)</option>
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199 <option value="unmatched">Unmatched peptides</option>
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200 </param>
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201 <param name="strict" type="boolean" truevalue="--strict" falsevalue="" checked="false" label="Exit with error on invalid peptides, otherwise ignore them"/>
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202 </inputs>
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203 <outputs>
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204 <data name="output_json" format="d3_hierarchy" label="${tool.name} ${unipept.api} on ${on_string} Taxonomy json">
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205 <filter>'json' in selected_outputs and unipept['api'] in ('pept2lca', 'pept2taxa', 'peptinfo')</filter>
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206 <change_format>
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207 <when input="api" value="pept2prot" format="json" />
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208 </change_format>
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209 </data>
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210 <data name="output_ec_json" format="d3_hierarchy" label="${tool.name} ${unipept.api} on ${on_string} EC json">
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211 <filter>'ec_json' in selected_outputs and unipept['api'] in ('pept2ec', 'pept2funct', 'peptinfo')</filter>
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212 </data>
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213 <data name="output_tsv" format="tabular" label="${tool.name} ${unipept.api} on ${on_string} tsv">
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214 <filter>'tsv' in selected_outputs</filter>
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215 <actions>
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216 <action name="comment_lines" type="metadata" default="1" />
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217 <!--
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218 <conditional name="unipept.api">
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219 <when value="pept2funct">
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220 <action name="column_names" type="metadata" default="peptide,total_protein_count,ec_numbers,ec_protein_counts,ec_names,go_terms,go_protein_counts,go_names" />
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221 </when>
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222 <when value="pept2go">
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223 <action name="column_names" type="metadata" default="peptide,total_protein_count,go_terms,go_protein_counts,go_names" />
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224 </when>
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225 <when value="pept2ec">
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226 <action name="column_names" type="metadata" default="peptide,total_protein_count,ec_numbers,ec_protein_counts,ec_names" />
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227 </when>
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228 </conditional>
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229 -->
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230 </actions>
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231 peptide,total_protein_count,ec_numbers,ec_protein_counts,ec_names,go_terms,go_protein_counts,go_names
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232 </data>
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233 <data name="output_csv" format="csv" label="${tool.name} ${unipept.api} on ${on_string} csv">
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234 <filter>'csv' in selected_outputs</filter>
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235 </data>
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236 <data name="output_ec_tsv" format="tabular" label="${tool.name} ${unipept.api} on ${on_string} EC tsv">
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237 <filter>'ec_tsv' in selected_outputs and unipept['api'] in ('pept2ec', 'pept2funct', 'peptinfo')</filter>
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238 <actions>
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239 <action name="column_names" type="metadata" default="Peptide,Total Protein Count,EC Number,Protein Count,EC Name" />
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240 </actions>
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241 </data>
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242 <data name="output_go_tsv" format="tabular" label="${tool.name} ${unipept.api} on ${on_string} GO tsv">
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243 <filter>'go_tsv' in selected_outputs and unipept['api'] in ('pept2go', 'pept2funct', 'peptinfo')</filter>
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244 <actions>
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245 <action name="column_names" type="metadata" default="Peptide,Total Protein Count,GO Term,Protein Count,GO Name" />
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246 </actions>
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247 </data>
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248 <data name="output_unmatched" format="tabular" label="${tool.name} ${unipept.api} on ${on_string} unmatched">
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249 <filter>'unmatched' in selected_outputs</filter>
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250 <actions>
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251 <action name="column_names" type="metadata" default="Unmatched Peptide" />
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252 </actions>
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253 </data>
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254 </outputs>
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255 <tests>
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256 <test>
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257 <param name="api" value="pept2lca"/>
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258 <param name="fmt" value="tabular"/>
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259 <param name="input_tsv" value="tryptic.tsv"/>
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260 <param name="column" value="2"/>
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261 <param name="extra" value="True"/>
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262 <param name="names" value="True"/>
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263 <param name="selected_outputs" value="tsv,unmatched"/>
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264 <output name="output_tsv">
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265 <assert_contents>
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266 <has_text text="Homininae" />
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267 </assert_contents>
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268 </output>
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269 <output name="output_unmatched">
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270 <assert_contents>
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271 <has_text text="QTAMAV" />
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272 </assert_contents>
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273 </output>
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274 </test>
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275 <test>
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276 <param name="api" value="pept2lca"/>
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277 <param name="fmt" value="fasta"/>
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278 <param name="input_fasta" value="peptide.fa"/>
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279 <param name="equate_il" value="True"/>
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280 <param name="extra" value="True"/>
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281 <param name="names" value="True"/>
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282 <param name="selected_outputs" value="json,tsv"/>
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283 <output name="output_json">
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284 <assert_contents>
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285 <has_text text="VMDVNDHKPEFYNCSLPACTFTPEEAQVNFTGYVDEHASPHIPIDDLTMVVYDPDKGSNGTFLLSLGGPDAEAFSVSPERAAGSASVQVLVRVSALVDYERQTAMAV" />
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286 </assert_contents>
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287 </output>
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288 <output name="output_tsv">
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289 <assert_contents>
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290 <has_text text="9606" />
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291 <has_text text="9598" />
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292 </assert_contents>
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293 </output>
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294 </test>
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295 <test>
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296 <param name="api" value="pept2taxa"/>
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297 <param name="fmt" value="fasta"/>
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298 <param name="input_fasta" value="peptide.fa"/>
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299 <param name="equate_il" value="True"/>
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300 <param name="extra" value="False"/>
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301 <param name="names" value="False"/>
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302 <param name="selected_outputs" value="tsv"/>
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303 <output name="output_tsv">
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304 <assert_contents>
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305 <has_text text="sapiens" />
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306 <has_text text="troglodytes" />
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307 <has_text text="Gorilla" />
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308 <has_text text="Macaca" />
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309 </assert_contents>
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310 </output>
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311 </test>
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312 <test>
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313 <param name="api" value="pept2lca"/>
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314 <param name="fmt" value="tabular"/>
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315 <param name="input_tsv" value="tryptic.tsv"/>
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316 <param name="column" value="2"/>
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317 <param name="extra" value="True"/>
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318 <param name="names" value="True"/>
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319 <param name="selected_outputs" value="tsv,ec_tsv,go_tsv,unmatched"/>
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320 <output name="output_tsv">
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321 <assert_contents>
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322 <has_text text="3.2.1.17" />
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323 </assert_contents>
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324 </output>
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325 <output name="output_ec_tsv">
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326 <assert_contents>
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327 <has_text text="3.2.1.17" />
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328 </assert_contents>
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329 </output>
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330 <output name="output_go_tsv">
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331 <assert_contents>
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332 <has_text text="GO:0006412" />
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333 </assert_contents>
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334 </output>
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335 </test>
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336 </tests>
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337 <help><![CDATA[
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338 **Unipept**
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339
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340 Retrieve Uniprot and taxanomic information for trypic peptides.
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341
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342 Unipept API documentation - http://unipept.ugent.be/apidocs
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343
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344 **Input**
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345
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346 Input peptides can be retrieved from tabular, fasta, mzid, or pepxml datasets.
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347
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348 Processing deatils::
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349
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350 The input peptides are split into typtic peptide fragments in order to match the Unipept records.
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351 Only fragments that are complete tryptic peptides between 5 and 50 animo acid in length will be matched by Unipept.
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352 The match to the most specific tryptic fragment is reported.
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353
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354
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355 **Unipept APIs**
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356
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357 **pept2prot** - http://unipept.ugent.be/apidocs/pept2prot
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358
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359 Returns the list of UniProt entries containing a given tryptic peptide. This is the same information as provided on the Protein matches tab when performing a search with the Tryptic Peptide Analysis in the web interface.
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360
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361 By default, each object contains the following information fields extracted from the UniProt record::
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362
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363 peptide: the peptide that matched this record
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364 uniprot_id: the UniProt accession number of the matching record
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365 taxon_id: the NCBI taxon id of the organism associated with the matching record
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366
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367 When the extra parameter is set to true, objects contain the following additional fields extracted from the UniProt record::
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368
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369 taxon_name: the name of the organism associated with the matching UniProt record
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370 ec_references: a space separated list of associated EC numbers
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371 go_references: a space separated list of associated GO terms
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372 refseq_ids: a space separated list of associated RefSeq accession numbers
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373 refseq_protein_ids: a space separated list of associated RefSeq protein accession numbers
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374 insdc_ids: a space separated list of associated insdc accession numbers
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375 insdc_protein_ids: a space separated list of associated insdc protein accession numbers
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376
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377
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378 **pept2taxa** - http://unipept.ugent.be/apidocs/pept2taxa
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379
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380 Returns the set of organisms associated with the UniProt entries containing a given tryptic peptide. This is the same information as provided on the Lineage table tab when performing a search with the Tryptic Peptide Analysis in the web interface.
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381
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382 By default, each object contains the following information fields extracted from the UniProt record and NCBI taxonomy::
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383
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384 peptide: the peptide that matched this record
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385 taxon_id: the NCBI taxon id of the organism associated with the matching record
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386 taxon_name: the name of the organism associated with the matching record
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387 taxon_rank: the taxonomic rank of the organism associated with the matching record
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388
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389 When the extra parameter is set to true, objects contain additional information about the lineages of the organism extracted from the NCBI taxonomy. The taxon id of each rank in the lineage is specified using the following information fields::
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390
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391 superkingdom_id
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392 kingdom_id
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393 subkingdom_id
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394 superphylum_id
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395 phylum_id
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396 subphylum_id
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397 superclass_id
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398 class_id
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399 subclass_id
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400 infraclass_id
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401 superorder_id
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402 order_id
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403 suborder_id
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404 infraorder_id
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405 parvorder_id
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406 superfamily_id
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407 family_id
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408 subfamily_id
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409 tribe_id
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410 subtribe_id
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411 genus_id
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412 subgenus_id
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413 species_group_id
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414 species_subgroup_id
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415 species_id
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416 subspecies_id
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417 varietas_id
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418 forma_id
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419
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420
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421 **pept2lca** - http://unipept.ugent.be/apidocs/pept2lca
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422
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423 Returns the taxonomic lowest common ancestor for a given tryptic peptide. This is the same information as provided when performing a search with the Tryptic Peptide Analysis in the web interface.
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424
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425 By default, each object contains the following information fields extracted from the UniProt record and NCBI taxonomy::
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426
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427 peptide: the peptide that matched this record
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428 taxon_id: the NCBI taxon id of the organism associated with the matching record
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429 taxon_name: the name of the organism associated with the matching record
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430 taxon_rank: the taxonomic rank of the organism associated with the matching record
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431
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432 When the extra parameter is set to true, objects contain additional information about the lineage of the taxonomic lowest common ancestor extracted from the NCBI taxonomy. The taxon id of each rank in the lineage is specified using the following information fields::
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433
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434 superkingdom_id
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435 kingdom_id
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436 subkingdom_id
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437 superphylum_id
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438 phylum_id
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439 subphylum_id
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440 superclass_id
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441 class_id
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442 subclass_id
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443 infraclass_id
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444 superorder_id
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445 order_id
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446 suborder_id
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447 infraorder_id
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448 parvorder_id
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449 superfamily_id
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450 family_id
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451 subfamily_id
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452 tribe_id
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453 subtribe_id
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454 genus_id
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455 subgenus_id
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456 species_group_id
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457 species_subgroup_id
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458 species_id
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459 subspecies_id
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460 varietas_id
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461 forma_id
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462
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463 **pept2ec** - http://unipept.ugent.be/apidocs/pept2ec
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464
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465 Returns the functional EC-numbers associated with a given tryptic peptide. This is the same information as provided when performing a search with the Tryptic Peptide Analysis in the web interface.
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466
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467 By default, each object contains the following information fields extracted from the UniProt record and NCBI taxonomy::
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468
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469 peptide: the peptide that matched this record
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470 total_protein_count: Total amount of proteins matched with the given peptide
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471 ec_number: EC-number associated with the current tryptic peptide.
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472 protein_count: amount of proteins matched with the given tryptic peptide that are labeled with the current EC-number.
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473 name: Optional, name of the EC-number. Included when the extra parameter is set to true.
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474
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475
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476 **pept2go** - http://unipept.ugent.be/apidocs/pept2go
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477
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478 Returns the functional GO-terms associated with a given tryptic peptide. This is the same information as provided when performing a search with the Tryptic Peptide Analysis in the web interface.
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479
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480 By default, each object contains the following information fields extracted from the UniProt record and NCBI taxonomy::
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481
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482 peptide: the peptide that matched this record
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483 total_protein_count: Total amount of proteins matched with the given peptide
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484 go_term: The GO-term associated with the current tryptic peptide.
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485 protein_count: amount of proteins matched with the given tryptic peptide that are labeled with the current GO-term.
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486 name: Optional, name of the GO-term. Included when the extra parameter is set to true.
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487
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488
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489 **pept2funct** - http://unipept.ugent.be/apidocs/pept2funct
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490
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491 Returns the functional EC-numbers and GO-terms associated with a given tryptic peptide. This is the same information as provided when performing a search with the Tryptic Peptide Analysis in the web interface.
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492
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493 By default, each object contains the following information fields extracted from the UniProt record and NCBI taxonomy::
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494
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495 peptide: the peptide that matched this record
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496 total_protein_count: Total amount of proteins matched with the given peptide
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497 ec_number: EC-number associated with the current tryptic peptide.
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498 protein_count: amount of proteins matched with the given tryptic peptide that are labeled with the current EC-number.
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499 name: Optional, name of the EC-number. Included when the extra parameter is set to true.
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500 go_term: The GO-term associated with the current tryptic peptide.
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501 protein_count: amount of proteins matched with the given tryptic peptide that are labeled with the current GO-term.
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502 name: Optional, name of the GO-term. Included when the extra parameter is set to true.
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503
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504
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505 **Attributions**
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506
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507 The Unipept metaproteomics analysis pipeline
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508 Bart Mesuere1,*, Griet Debyser2, Maarten Aerts3, Bart Devreese2, Peter Vandamme3 andPeter Dawyndt1
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509 Article first published online: 11 FEB 2015
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510 DOI: 10.1002/pmic.201400361
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511 http://onlinelibrary.wiley.com/doi/10.1002/pmic.201400361/abstract;jsessionid=BFF1994E4C14DA73D7C907EB208AD710.f04t04
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512
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513 ]]></help>
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514 <citations>
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515 <citation type="doi">doi:10.1002/pmic.201400361</citation>
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516 </citations>
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517
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518 </tool>