Mercurial > repos > metexplore > met4j
annotate tools/networkAnalysis/MetaboRank/MetaboRank.xml @ 9:0976a6257300 draft
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 05db35f63cadb9d56dafff594a3507c59cd85273
author | metexplore |
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date | Fri, 31 Jan 2025 18:28:53 +0000 |
parents | 1274e2a62479 |
children | 6a112eaf8f38 |
rev | line source |
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9
0976a6257300
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 05db35f63cadb9d56dafff594a3507c59cd85273
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1 <?xml version="1.0" encoding="UTF-8" standalone="no"?> |
0976a6257300
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 05db35f63cadb9d56dafff594a3507c59cd85273
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2 <tool id="met4j_MetaboRank" name="MetaboRank" version="develop"> |
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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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3 <description>Compute the MetaboRank, a custom personalized PageRank for metabolic network.</description> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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4 <xrefs> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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5 <xref type="bio.tools">met4j</xref> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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6 </xrefs> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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7 <requirements> |
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0976a6257300
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 05db35f63cadb9d56dafff594a3507c59cd85273
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8 <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:develop</container> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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9 </requirements> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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10 <command detect_errors="exit_code"><![CDATA[sh /usr/bin/met4j.sh networkAnalysis.MetaboRank -i "$sbmlFilePath" |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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11 -s "$seedsFilePath" |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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12 #if str($edgeWeightsFilePaths) != 'None': |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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13 -w "$edgeWeightsFilePaths" |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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14 #end if |
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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy
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15 #if str($inputSide) != 'None': |
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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy
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16 -sc "$inputSide" |
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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy
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17 #end if |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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18 #if str($maxNbOfIter): |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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19 -max "$maxNbOfIter" |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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20 #end if |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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21 #if str($tolerance) != 'nan': |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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22 -t "$tolerance" |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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23 #end if |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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24 #if str($dampingFactor) != 'nan': |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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25 -d "$dampingFactor" |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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26 #end if |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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27 -o "$output" |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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28 ]]></command> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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29 <inputs> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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30 <param argument="-i" format="sbml" label="input SBML file: path to network used for computing centrality, in sbml format." name="sbmlFilePath" optional="false" type="data" value=""/> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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31 <param argument="-s" format="tsv" label="input seeds file: tabulated file containing node of interest ids and weight" name="seedsFilePath" optional="false" type="data" value=""/> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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32 <param argument="-w" format="tsv" label="input edge weight file: (recommended) path to file containing edges' weights. Will be normalized as transition probabilities" name="edgeWeightsFilePaths" optional="true" type="data" value=""/> |
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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy
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33 <param argument="-sc" format="txt" label="input Side compound file" name="inputSide" optional="true" type="data" value=""/> |
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dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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34 <param argument="-max" label="maximal number of iteration" name="maxNbOfIter" optional="true" type="text" value="15000"> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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35 <sanitizer invalid_char="_"> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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36 <valid initial="string.printable"/> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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37 </sanitizer> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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38 </param> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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39 <param argument="-t" label="convergence tolerance" name="tolerance" optional="true" type="float" value="0.001"/> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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40 <param argument="-d" label="damping factor" name="dampingFactor" optional="true" type="float" value="0.85"/> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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41 </inputs> |
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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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42 <outputs> |
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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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43 <data format="tsv" name="output"/> |
dcd16521b969
planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 5dab0a2d83a1fdd7a1878a50ba0f24e752505393
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44 </outputs> |
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45 <tests> |
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46 <test> |
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58 <param name="sbmlFilePath" value="XF_network.sbml"/> |
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70 <param name="seedsFilePath" value="XF_network_C_Seed.tab"/> |
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82 <param name="inputSide" value="XF_network_C_Side.tab"/> |
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94 <output name="output"> |
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106 <assert_contents> |
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118 <has_n_lines n="1100"/> |
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130 <has_n_columns n="11"/> |
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142 </assert_contents> |
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154 </output> |
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164 |
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165 |
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166 </test> |
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167 </tests> |
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168 <help><![CDATA[Compute the MetaboRank, a custom personalized PageRank for metabolic network. |
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169 The MetaboRank takes a metabolic network and a list of compounds of interest, and provide a score of relevance for all of the other compounds in the network. |
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170 The MetaboRank can, from metabolomics results, be used to fuel a recommender system highlighting interesting compounds to investigate, retrieve missing identification and drive literature mining. |
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171 It is a two dimensional centrality computed from personalized PageRank and CheiRank, with special transition probability and normalization to handle the specificities of metabolic networks. |
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172 For convenience, a one dimensional centrality rank is also computed from the highest rank from PageRank or CheiRank, and using lowest rank as tie-breaker. |
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173 See publication for more information.]]></help> |
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174 <citations> |
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175 <citation type="doi">10.1093/bioinformatics/bty577</citation> |
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176 </citations> |
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177 </tool> |