annotate add_kegg_pathway_info.xml @ 2:2c218a253d56 draft default tip

"planemo upload for repository https://github.com/secimTools/gait-gm/tree/main/galaxy commit 758394addb95b09e794132a23a1f7e95ba39df0b"
author malex
date Thu, 29 Jul 2021 20:48:10 +0000
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1 <tool id="secimtools_add_kegg_pathway_info" name="Add KEGG Pathway Information" version="@WRAPPER_VERSION@">
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2 <description>using KEGGIDs</description>
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3 <macros>
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4 <import>macros.xml</import>
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5 </macros>
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6 <expand macro="requirements" />
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7 <command detect_errors="exit_code"><![CDATA[
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8 add_kegg_pathway_info.py
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9 -sp=$species
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10 #if $dataSets.whichDataSet == "geneDataset":
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11 -gka=$dataSets.geneKeggAnnot
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12 -gid=$dataSets.geneUniqId
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13 -gn=$dataSets.geneName
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14 -gkid=$dataSets.geneKeggId
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15 -go=$geneOutput
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16 -kg2p=$gene_keggID2pathID
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17 #end if
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18 #if $dataSets.whichDataSet == "metDataset":
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19 -mka=$dataSets.metKeggAnnot
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20 -mid=$dataSets.metUniqId
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21 -mn=$dataSets.metName
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22 -mkid=$dataSets.metKeggId
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23 -mo=$metOutput
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24 -km2p=$met_keggID2pathID
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25 #end if
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26 #if $dataSets.whichDataSet == "both":
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27 -gka=$dataSets.geneKeggAnnot
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28 -gid=$dataSets.geneUniqId
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29 -gn=$dataSets.geneName
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30 -gkid=$dataSets.geneKeggId
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31 -mka=$dataSets.metKeggAnnot
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32 -mid=$dataSets.metUniqId
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33 -mn=$dataSets.metName
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34 -mkid=$dataSets.metKeggId
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35 -kg2p=$gene_keggID2pathID
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36 -km2p=$met_keggID2pathID
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37 -go=$geneOutput
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38 -mo=$metOutput
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39 #end if
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40 -p=$pathways
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41 ]]></command>
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42 <inputs>
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43 <param name="species" type="select" label="Select your Species from the List" >
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44 <option value="hsa">Homo sapiens</option>
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45 <option value="mmu">Mus musculus</option>
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46 <option value="rno">Rattus norvegicus</option>
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47 <option value="dme">Drosophila melanogaster</option>
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48 <option value="ath">Arabidopsis thaliana</option>
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49 <option value="sce">Saccharomyces cerevisiae</option>
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50 <option value="eco">Escherichia coli</option>
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51 <option value="cel">Caenorhabditis elegans</option>
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52 </param>
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53 <conditional name="dataSets">
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54 <param name="whichDataSet" type="select" display="radio" label="Select the Datasets you want to add KEGG pathway information to. Note: datasets must contain KEGGIDs.">
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55 <option value="both" selected="true">Gene Expression + Metabolomic Files with KEGGIDs</option>
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56 <option value="geneDataset">Gene Expression File with KEGGIDs</option>
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57 <option value="metDataset">Metabolomic File with KEGGIDs</option>
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58 <validator type="no_options" message="You must select at least one option." />
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59 </param>
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60 <when value="both">
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61 <param name="geneKeggAnnot" type="data" format="tabular" label="Gene to KEGGID Link File" help="Select the Gene to KEGGID Link File that contains KEGG identifiers from your history"/>
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62 <param name="geneUniqId" type="text" size="30" value="" label="Gene unique FeatureID" help="Name of the column in your Gene to KEGGID Link File that contains unique FeatureIDs."/>
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63 <param name="geneName" type="text" size="30" value="" label="Gene Symbol" help="Name of the column in your Gene to KEGGID Link File that contains Gene Symbols."/>
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64 <param name="geneKeggId" type="text" size="30" value="" label="Gene KEGGID" help="Name of the column in your Gene to KEGGID Link File that contains KEGGIDs."/>
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65 <param name="metKeggAnnot" type="data" format="tabular" label="Metabolite to KEGGID Link File" help="Select the Metabolite to KEGGID Link File that contains KEGG identifiers from your history"/>
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66 <param name="metUniqId" type="text" size="30" value="" label="Metabolite unique FeatureID" help="Name of the column in your Metabolite to KEGGID Link File that contains unique FeatureIDs."/>
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67 <param name="metName" type="text" size="30" value="" label="Metabolite Names" help="Name of the column in your Metabolite to KEGGID Link File that contains Metabolite Names."/>
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68 <param name="metKeggId" type="text" size="30" value="" label="Metabolite KEGGID" help="Name of the column in your Metabolite to KEGGID Link File that contains KEGGIDs."/>
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69 </when>
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70 <when value="geneDataset">
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71 <param name="geneKeggAnnot" type="data" format="tabular" label="Gene to KEGGID Link File" help="Select the Gene to KEGGID Link File that contains KEGG identifiers from your history"/>
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72 <param name="geneUniqId" type="text" size="30" value="" label="Gene unique FeatureID" help="Name of the column in your Gene to KEGGID Link File that contains unique FeatureIDs."/>
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73 <param name="geneName" type="text" size="30" value="" label="Gene Symbol" help="Name of the column in your Gene to KEGGID Link File that contains Gene Symbols."/>
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74 <param name="geneKeggId" type="text" size="30" value="" label="Gene KEGGID" help="Name of the column in your Gene to KEGGID Link File that contains KEGGIDs."/>
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75 </when>
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76 <when value="metDataset">
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77 <param name="metKeggAnnot" type="data" format="tabular" label="Metabolite to KEGGID Link File" help="Select the Metabolite to KEGGID Link File that contains KEGG identifiers from your history"/>
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78 <param name="metUniqId" type="text" size="30" value="" label="Metabolite unique FeatureID" help="Name of the column in your Metabolite to KEGGID Link File that contains unique FeatureIDs."/>
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79 <param name="metName" type="text" size="30" value="" label="Metabolite Names" help="Name of the column in your Metabolite to KEGGID Link File that contains Metabolite Names."/>
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80 <param name="metKeggId" type="text" size="30" value="" label="Metabolite KEGGID" help="Name of the column in your Metabolite to KEGGID Link File that contains KEGGIDs."/>
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81 </when>
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82 </conditional>
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83 </inputs>
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84 <outputs>
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85 <data format="tabular" name="gene_keggID2pathID" label="${tool.name} on ${on_string}: GeneKeggID2PathwayID">
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86 <filter>(dataSets['whichDataSet'] == 'geneDataset') or (dataSets['whichDataSet'] == 'both')</filter>
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87 </data>
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88 <data format="tabular" name="met_keggID2pathID" label="${tool.name} on ${on_string}: MetaboliteKeggID2PathwayID">
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89 <filter>(dataSets['whichDataSet'] == 'metDataset') or (dataSets['whichDataSet'] == 'both')</filter>
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90 </data>
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91 <data format="tabular" name="pathways" label="${tool.name} on ${on_string}: PathwayID2PathwayNames"/>
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92 <data format="tabular" name="geneOutput" label="${tool.name} on ${on_string}: Gene KEGG Pathway File">
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93 <filter>(dataSets['whichDataSet'] == 'geneDataset') or (dataSets['whichDataSet'] == 'both')</filter>
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94 </data>
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95 <data format="tabular" name="metOutput" label="${tool.name} on ${on_string}: Metabolite KEGG Pathway File">
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96 <filter>(dataSets['whichDataSet'] == 'metDataset') or (dataSets['whichDataSet'] == 'both')</filter>
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97 </data>
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98 </outputs>
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99 <tests>
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100 <test>
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101 <param name="species" value="rno"/>
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102 <param name="whichDataSet" value="both"/>
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103 <param name="geneKeggAnnot" value="gene_to_keggId_link.tsv"/>
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104 <param name="geneUniqId" value="UniqueID"/>
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105 <param name="geneName" value="GeneSymbol"/>
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106 <param name="geneKeggId" value="KEGG_ID"/>
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107 <param name="metKeggAnnot" value="metabolite_to_keggId_link.tsv"/>
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108 <param name="metUniqId" value="UniqueID"/>
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109 <param name="metName" value="MetName"/>
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110 <param name="metKeggId" value="KEGG_ID"/>
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111 <output name="gene_keggID2pathID" file="geneKeggId2pathwayId.tsv" compare="diff" lines_diff="10000"/>
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112 <output name="met_keggID2pathID" file="metaboliteKeggId2pathwayId.tsv" compare="diff" lines_diff="10000"/>
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113 <output name="geneOutput" file="gene_kegg_pathway.tsv" compare="diff" lines_diff="10000"/>
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114 <output name="metOutput" file="metabolite_kegg_pathway.tsv" compare="diff" lines_diff="10000"/>
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115 <output name="pathways" file="pathwayId2pathwayNames.tsv" compare="diff" lines_diff="10000"/>
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116 </test>
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117 </tests>
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118 <help><![CDATA[
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119
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120 **Tool Description**
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121
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122 This tool takes a Gene to KEGG Link dataset or a Metabolomic to KEGG Link dataset and adds KEGG Pathway Names using KEGGIDs.
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123 The tool was designed to take the output from the 'Link Name to KEGGID' tool as input (for example the Gene to KEGGID Link dataset),
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124 but other datasets containing KEGGIDs can be used as well.
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125
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126
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127 If a 'Gene to KEGG ID link File’ is given, the tool outputs the following three files;
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128
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129 1) a 'Gene KEGG Pathway File' containing the unique FeatureID, Feature_Name, Feature_Type and KEGG_ID columns from the input file plus Pathway_ID and Pathway_Name columns containing KEGG pathway identifiers and KEGG pathway names, respectively. If no pathways are linked to the KEGG IDs then these columns return ‘NA’.
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130
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131 2) a 'GeneKeggID2PathwayID' file containing the KEGG gene identifiers and their associated KEGG pathway identifiers.
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132
2
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133 3) a 'PathwayID2PathwayNames' file containing all of the KEGG pathway identifiers and theirassociated KEGG pathway names.
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134
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135 If a 'Metabolite to KEGG ID link File’ is given, the tool outputs the following three files;
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136
2
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137 1) a ' Metabolite KEGG Pathway File' containing the unique FeatureID, Feature_Name, Feature_Type and KEGG_ID columns from the input file plus Pathway_ID and Pathway_Name columns containing KEGG pathway identifiers and KEGG pathway names, respectively. If no pathways are linked to the KEGG IDs then these columns return ‘NA’.
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138
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139 2) a 'MetaboliteKeggID2PathwayID' file containing the KEGG metabolite identifiers and their associated KEGG pathway identifiers.
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140
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141 3) a 'PathwayID2PathwayNames' file containing all of the KEGG pathway identifiers and their associated KEGG pathway names.
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142
1
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143
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144 Note: FeatureIDs and KEGGIDs may not be unique in the output.
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145
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146 --------------------------------------------------------------------------------
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147
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148 **INPUT**
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149
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150 **Gene Dataset containing KEGGIDs - for example, output from the Link Name to KEGG IDtool**
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151
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152 +----------+-----------+--------------+---------+--------------+---------+------------+-----+----------+
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153 | UniqueId | Gene_Name | Feature_Type | Matched | Name_in_KEGG | KEGGID | Similarity | Tie | Selected |
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154 +==========+===========+==============+=========+==============+=========+============+=====+==========+
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155 | Gene_1 | one | Gene | Yes | one* | mmu:... | 1.0 | No | Yes |
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156 +----------+-----------+--------------+---------+--------------+---------+------------+-----+----------+
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157 | Gene_2 | two | Gene | Yes | two* | mmu:... | 1.0 | No | Yes |
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158 +----------+-----------+--------------+---------+--------------+---------+------------+-----+----------+
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159 | Gene_3 | three | Gene | Yes | three* | mmu:... | 1.0 | No | Yes |
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160 +----------+-----------+--------------+---------+--------------+---------+------------+-----+----------+
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161 | Gene_4 | four | Gene | No | NA | NA | NA | No | NA |
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162 +----------+-----------+--------------+---------+--------------+---------+------------+-----+----------+
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163 | ... | ... | ... | ... | ... | ... | ... | ... | ... |
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164 +----------+-----------+--------------+---------+--------------+---------+------------+-----+----------+
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165
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166 **Metabolite Dataset containing KEGGIDs - for example, output from the Link Name to KEGGID tool**
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167
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168 +----------+----------+--------------+---------+--------------+----------+------------+-----+----------+
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169 | UniqueId | Met_Name | Feature_Type | Matched | Name_in_KEGG | KEGGID | Similarity | Tie | Selected |
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170 +==========+==========+==============+=========+==============+==========+============+=====+==========+
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171 | Met_1 | one | Metabolite | Yes | one* | cpd:... | 1.0 | No | Yes |
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172 +----------+----------+--------------+---------+--------------+----------+------------+-----+----------+
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173 | Met_2 | two | Metabolite | Yes | two* | cpd:... | 1.0 | No | Yes |
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174 +----------+----------+--------------+---------+--------------+----------+------------+-----+----------+
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175 | Met_3 | three | Metabolite | Yes | three* | cpd:... | 1.0 | No | Yes |
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176 +----------+----------+--------------+---------+--------------+----------+------------+-----+----------+
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177 | Met_4 | four | Metabolite | No | NA | NA | NA | No | NA |
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178 +----------+----------+--------------+---------+--------------+----------+------------+-----+----------+
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179 | ... | ... | ... | ... | ... | ... | ... | ... | ... |
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180 +----------+----------+--------------+---------+--------------+----------+------------+-----+----------+
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181
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182 **Gene unique FeatureID and/or Metabolite unique ID**
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183
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184 Name of the column in your KEGGID Link File that contains unique identifiers (for genes and/or metabolites).
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185
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186 **Gene Symbol**
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187
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188 Name of the column in your KEGGID Link File that has Gene Symbols (for genes) or Metabolite Names (for metabolite data).
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189
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190 **Gene KEGGID and/or Metabolite KEGGID**
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191
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192 Name of the column in your KEGGID Link File that contains KEGGIDs (for genes and/or metabolites).
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193
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194 --------------------------------------------------------------------------------
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195
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196 **OUTPUT**
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197
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198 The user will get different output from the tool, depending on whether they include the 'Gene to KEGGID Link' File, the 'Metabolite to KEGGID Link' File, or both.
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199
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200 (1) **GeneKeggID2PathwayID.** Downloaded file from KEGG for the selected species that contains ALL KEGGIDs to PathwayIDs.
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201 (2) **MetaboliteKeggID2PathwayID.** Downloaded file from KEGG for the selected species that contains ALL the Metabolite KeggIDs to PathwayIDs.
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202 (3) **Pathways Names.** Downloaded file from KEGG for the selected species that contains ALL the PathwayIDs to Pathway Names.
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203 (4) **Gene KEGG Pathway File.** Tabular file with genes, feature types, KEGGIDs, PathwayIDs and Pathway Names.
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204
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205 +-------------+--------------+--------------+---------+--------------+--------------+
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206 | FeatureID | Gene_Symbol | Feature_Type | KEGGID | PathwayID | Pathway_Name |
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207 +=============+==============+==============+=========+==============+==============+
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208 | FeatureID_1 | one | Gene | mmu:... | path:mmu:... | Pathway_A |
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209 +-------------+--------------+--------------+---------+--------------+--------------+
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210 | FeatureID_2 | two | Gene | mmu:... | path:mmu:... | Pathway_B |
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211 +-------------+--------------+--------------+---------+--------------+--------------+
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212 | FeatureID_3 | three | Gene | mmu:... | path:mmu:... | Pathway_C |
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213 +-------------+--------------+--------------+---------+--------------+--------------+
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214 | FeatureID_4 | four | Gene | mmu:... | path:mmu:... | Pathway_D |
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215 +-------------+--------------+--------------+---------+--------------+--------------+
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216 | ... | ... | ... | ... | ... | ... |
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217 +-------------+--------------+--------------+---------+--------------+--------------+
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218
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219 ------------------------------------------------------------------
1
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220
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221 (5) **Metabolite KEGG Pathway File.** Tabular file with metabolites, feature types, KEGGIDs, PathwayIDs and Pathway Names.
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222
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223 +-------------+-----------------+--------------+---------+--------------+--------------+
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224 | FeatureID | Metabolite_Name | Feature_Type | KEGGID | PathwayID | Pathway_Name |
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225 +=============+=================+==============+=========+==============+==============+
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226 | FeatureID_1 | one | Metabolite | cdp:... | path:map:... | Pathway_A |
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227 +-------------+-----------------+--------------+---------+--------------+--------------+
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228 | FeatureID_2 | two | Metabolite | cdp:... | path:map:... | Pathway_B |
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229 +-------------+-----------------+--------------+---------+--------------+--------------+
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230 | FeatureID_3 | three | Metabolite | cdp:... | path:map:... | Pathway_C |
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231 +-------------+-----------------+--------------+---------+--------------+--------------+
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232 | FeatureID_4 | four | Metabolite | cdp:... | path:map:... | Pathway_D |
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233 +-------------+-----------------+--------------+---------+--------------+--------------+
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234 | ... | ... | ... | ... | ... | ... |
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235 +-------------+-----------------+--------------+---------+--------------+--------------+
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236
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237 ]]>
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238 </help>
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239 <citations>
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240 <citation type="bibtex">@ARTICLE{Kirpich17secimtools,
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241 author = {Alexander S. Kirpich, Miguel Ibarra, Oleksandr Moskalenko, Justin M. Fear, Joseph Gerken, Xinlei Mi, Ali Ashrafi, Alison M. Morse, Lauren M. McIntyre},
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242 title = {SECIMTools: A suite of Metabolomics Data Analysis Tools},
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243 journal = {BMC Bioinformatics},
2
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244 year = {2018}
1
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245 }</citation>
2
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246 <citation type="bibtex">@article{Mor2021GaitGM,
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247 title={GAIT-GM integrative cross-omics analyses reveal cholinergic defects in a C. elegans model of Parkinson's disease},
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248 author={Mor, DE and Huertas, F and Morse, AM and Kaletsky, R and Murphy, CT and Kalia, V and Miller, GW and Moskalenko, O and Conesa, A and McIntyre, LM},
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249 journal={BMC Genomics},
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250 year={submitted},
1
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251 }</citation>
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252 </citations>
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253 </tool>