# HG changeset patch # User metexplore # Date 1656337268 0 # Node ID 9b162ee6ff8ed4a6cb23dc2267cf28614f8e0ada # Parent dcd16521b9692d169293600d1b18cec7872928b8 planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 12798951d21c3b2b13514b38148b2848cb422c95 diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/ExtractPathways/ExtractPathways.xml --- a/tools/attributes/ExtractPathways/ExtractPathways.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/ExtractPathways/ExtractPathways.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Extract pathway(s) from GSMN met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/ExtractSbmlAnnot/ExtractSbmlAnnot.xml --- a/tools/attributes/ExtractSbmlAnnot/ExtractSbmlAnnot.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/ExtractSbmlAnnot/ExtractSbmlAnnot.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Extract databases' references from SBML annotations or notes. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlSetChargesFromFile/SbmlSetChargesFromFile.xml --- a/tools/attributes/SbmlSetChargesFromFile/SbmlSetChargesFromFile.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlSetChargesFromFile/SbmlSetChargesFromFile.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Set charge to network metabolites from a tabulated file containing the metabolite ids and the formulas met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 charge: -1

) - as fbc attribute (e.g. fbc:charge="1")]]> +
diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlSetEcsFromFile/SbmlSetEcsFromFile.xml --- a/tools/attributes/SbmlSetEcsFromFile/SbmlSetEcsFromFile.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlSetEcsFromFile/SbmlSetEcsFromFile.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Set EC numbers to reactions from a tabulated file containing the reaction ids and the EC met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 EC_NUMBER: 2.4.2.14

) - as a reaction annotation (e.g. )]]> +
diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlSetFormulasFromFile/SbmlSetFormulasFromFile.xml --- a/tools/attributes/SbmlSetFormulasFromFile/SbmlSetFormulasFromFile.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlSetFormulasFromFile/SbmlSetFormulasFromFile.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Set Formula to network metabolites from a tabulated file containing the metabolite ids and the formulas met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 formula: C16H29O2

- as a fbc attribute (e.g. fbc:chemicalFormula="C16H29O2")]]> +
diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlSetGprsFromFile/SbmlSetGprsFromFile.xml --- a/tools/attributes/SbmlSetGprsFromFile/SbmlSetGprsFromFile.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlSetGprsFromFile/SbmlSetGprsFromFile.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a new SBML file from an original sbml file and a tabulated file containing reaction ids and Gene association written in a cobra way met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 GENE_ASSOCIATION: ( XC_0401 ) OR ( XC_3282 )

-- as fbc gene product association : - - - - - +- as fbc gene product association : + + + + + ]]> +
diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlSetNamesFromFile/SbmlSetNamesFromFile.xml --- a/tools/attributes/SbmlSetNamesFromFile/SbmlSetNamesFromFile.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlSetNamesFromFile/SbmlSetNamesFromFile.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Set names to network objects from a tabulated file containing the object ids and the names met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlSetPathwaysFromFile/SbmlSetPathwaysFromFile.xml --- a/tools/attributes/SbmlSetPathwaysFromFile/SbmlSetPathwaysFromFile.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlSetPathwaysFromFile/SbmlSetPathwaysFromFile.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Set pathway to reactions in a network from a tabulated file containing the reaction ids and the pathways met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 SUBSYSTEM: purine_biosynthesis

)- as SBML group: - - - - + + + + ... ]]> +
diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlSetRefsFromFile/SbmlSetRefsFromFile.xml --- a/tools/attributes/SbmlSetRefsFromFile/SbmlSetRefsFromFile.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlSetRefsFromFile/SbmlSetRefsFromFile.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Add refs to network objects from a tabulated file containing the metabolite ids and the formulas met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/attributes/SbmlToMetaboliteTable/SbmlToMetaboliteTable.xml --- a/tools/attributes/SbmlToMetaboliteTable/SbmlToMetaboliteTable.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/attributes/SbmlToMetaboliteTable/SbmlToMetaboliteTable.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a tabulated file with metabolite attributes from a SBML file met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/bigg/GetModelProteome/GetModelProteome.xml --- a/tools/bigg/GetModelProteome/GetModelProteome.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/bigg/GetModelProteome/GetModelProteome.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Get proteome in fasta format of a model present in BIGG met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/convert/FbcToNotes/FbcToNotes.xml --- a/tools/convert/FbcToNotes/FbcToNotes.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/convert/FbcToNotes/FbcToNotes.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Convert FBC package annotations to sbml notes met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/convert/Kegg2Sbml/Kegg2Sbml.xml --- a/tools/convert/Kegg2Sbml/Kegg2Sbml.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/convert/Kegg2Sbml/Kegg2Sbml.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Build a SBML file from KEGG organism-specific pathways. Uses Kegg API. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 - - - + + diff -r dcd16521b969 -r 9b162ee6ff8e tools/convert/Kegg2Sbml/test-data/toy_model.xml --- a/tools/convert/Kegg2Sbml/test-data/toy_model.xml Fri Jun 10 10:31:34 2022 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,119 +0,0 @@ - - - - - - - - - - - - - - - - - - - - -

SMILES: C[C@@H](C(=O)O)NC

- -
- - - - - InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 - - - - - -
- - - - - - - -
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
-
\ No newline at end of file diff -r dcd16521b969 -r 9b162ee6ff8e tools/convert/Sbml2Graph/Sbml2Graph.xml --- a/tools/convert/Sbml2Graph/Sbml2Graph.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/convert/Sbml2Graph/Sbml2Graph.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a graph representation of a SBML file content, and export it in graph file format. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/convert/Sbml2Tab/Sbml2Tab.xml --- a/tools/convert/Sbml2Tab/Sbml2Tab.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/convert/Sbml2Tab/Sbml2Tab.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a tabulated file from a SBML file met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/convert/Tab2Sbml/Tab2Sbml.xml --- a/tools/convert/Tab2Sbml/Tab2Sbml.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/convert/Tab2Sbml/Tab2Sbml.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a Sbml File from a tabulated file that contains the reaction ids and the formulas met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/met4j.yml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tools/met4j.yml Mon Jun 27 13:41:08 2022 +0000 @@ -0,0 +1,92 @@ +--- +install_repository_dependencies: true +install_resolver_dependencies: true +install_tool_dependencies: false +tools: + - name: ExtractPathways + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: ExtractSbmlAnnot + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlSetChargesFromFile + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlSetEcsFromFile + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlSetFormulasFromFile + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlSetGprsFromFile + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlSetNamesFromFile + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlSetPathwaysFromFile + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlSetRefsFromFile + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: SbmlToMetaboliteTable + owner: metexplore + tool_panel_section_id: met4j_attributes + - name: GetModelProteome + owner: metexplore + tool_panel_section_id: met4j_bigg + - name: FbcToNotes + owner: metexplore + tool_panel_section_id: met4j_convert + - name: Kegg2Sbml + owner: metexplore + tool_panel_section_id: met4j_convert + - name: Sbml2Graph + owner: metexplore + tool_panel_section_id: met4j_convert + - name: Sbml2Tab + owner: metexplore + tool_panel_section_id: met4j_convert + - name: Tab2Sbml + owner: metexplore + tool_panel_section_id: met4j_convert + - name: CarbonSkeletonNet + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: ChokePoint + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: CompoundNet + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: DistanceMatrix + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: ExtractSubBipNetwork + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: ExtractSubNetwork + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: ExtractSubReactionNetwork + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: LoadPoint + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: MetaboRank + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: NetworkSummary + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: PrecursorNetwork + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: ScopeNetwork + owner: metexplore + tool_panel_section_id: met4j_networkanalysis + - name: SideCompoundsScan + owner: metexplore + tool_panel_section_id: met4j_networkanalysis diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/CarbonSkeletonNet/CarbonSkeletonNet.xml --- a/tools/networkAnalysis/CarbonSkeletonNet/CarbonSkeletonNet.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/CarbonSkeletonNet/CarbonSkeletonNet.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a carbon skeleton graph representation of a SBML file content, using GSAM atom-mapping file (see https://forgemia.inra.fr/metexplore/gsam) met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ChokePoint/ChokePoint.xml --- a/tools/networkAnalysis/ChokePoint/ChokePoint.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/ChokePoint/ChokePoint.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Compute the Choke points of a metabolic network. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/CompoundNet/CompoundNet.xml --- a/tools/networkAnalysis/CompoundNet/CompoundNet.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/CompoundNet/CompoundNet.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Advanced creation of a compound graph representation of a SBML file content met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/DistanceMatrix/DistanceMatrix.xml --- a/tools/networkAnalysis/DistanceMatrix/DistanceMatrix.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/DistanceMatrix/DistanceMatrix.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,15 +1,18 @@ - + Create a compound to compound distance matrix. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 - + + @@ -55,4 +59,5 @@ The distance between two compounds is computed as the length of the shortest path connecting the two in the compound graph, where two compounds are linked if they are respectively substrate and product of the same reaction. An optional edge weighting can be used, turning the distances into the sum of edge weights in the lightest path, rather than the length of the shortest path.The default weighting use target's degree squared. Alternatively, custom weighting can be provided in a file. In that case, edges without weight are ignored during path search. If no edge weighting is set, it is recommended to provide a list of side compounds to ignore during network traversal.]]> + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubBipNetwork/ExtractSubBipNetwork.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tools/networkAnalysis/ExtractSubBipNetwork/ExtractSubBipNetwork.xml Mon Jun 27 13:41:08 2022 +0000 @@ -0,0 +1,66 @@ + + + Create a subnetwork from a GSMN in SBML format, and two files containing lists of compounds and/or reactions of interests ids, one per row, plus one file of the same format containing side compounds ids. + + met4j + + + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubBipNetwork/test-data/sc.txt diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubBipNetwork/test-data/seeds.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tools/networkAnalysis/ExtractSubBipNetwork/test-data/seeds.txt Mon Jun 27 13:41:08 2022 +0000 @@ -0,0 +1,1 @@ +A \ No newline at end of file diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubBipNetwork/test-data/targets.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tools/networkAnalysis/ExtractSubBipNetwork/test-data/targets.txt Mon Jun 27 13:41:08 2022 +0000 @@ -0,0 +1,1 @@ +D \ No newline at end of file diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubBipNetwork/test-data/test.gml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tools/networkAnalysis/ExtractSubBipNetwork/test-data/test.gml Mon Jun 27 13:41:08 2022 +0000 @@ -0,0 +1,56 @@ +Creator "JGraphT GML Exporter" +Version 1 +graph +[ + label "" + directed 1 + node + [ + id 1 + label "A" + ] + node + [ + id 2 + label "reac2" + ] + node + [ + id 3 + label "B" + ] + node + [ + id 4 + label "reac4" + ] + node + [ + id 5 + label "D" + ] + edge + [ + source 1 + target 2 + label "(A : reac2)" + ] + edge + [ + source 2 + target 3 + label "(reac2 : B)" + ] + edge + [ + source 3 + target 4 + label "(B : reac4)" + ] + edge + [ + source 4 + target 5 + label "(reac4 : D)" + ] +] diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubBipNetwork/test-data/toy_model.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tools/networkAnalysis/ExtractSubBipNetwork/test-data/toy_model.xml Mon Jun 27 13:41:08 2022 +0000 @@ -0,0 +1,119 @@ + + + + + + + + + + + + + + + + + + + + +

SMILES: C[C@@H](C(=O)O)NC

+ +
+ + + + + InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 + + + + + +
+ + + + + + + +
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
+
\ No newline at end of file diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubNetwork/ExtractSubNetwork.xml --- a/tools/networkAnalysis/ExtractSubNetwork/ExtractSubNetwork.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/ExtractSubNetwork/ExtractSubNetwork.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a subnetwork from a GSMN in SBML format, and two files containing lists of compounds of interests ids, one per row. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + + @@ -67,4 +71,5 @@ Pertusi DA, Stine AE, Broadbelt LJ, et al. Efficient searching and annotation of metabolic networks using chemical similarity. Bioinformatics 2014;1–9. McShan DC, Rao S, Shah I. PathMiner: predicting metabolic pathways by heuristic search. Bioinformatics 2003;19:1692–8. ]]> + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ExtractSubReactionNetwork/ExtractSubReactionNetwork.xml --- a/tools/networkAnalysis/ExtractSubReactionNetwork/ExtractSubReactionNetwork.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/ExtractSubReactionNetwork/ExtractSubReactionNetwork.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,14 +1,16 @@ - + Create a subnetwork from a GSMN in SBML format, and two files containing lists of reactions of interests ids, one per row, plus one file of the same format containing side compounds ids. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + + @@ -53,4 +57,5 @@ + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/LoadPoint/LoadPoint.xml --- a/tools/networkAnalysis/LoadPoint/LoadPoint.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/LoadPoint/LoadPoint.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Compute the Load points of a metabolic network. Load points constitute an indicator of lethality and can help identifying drug target. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/MetaboRank/MetaboRank.xml --- a/tools/networkAnalysis/MetaboRank/MetaboRank.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/MetaboRank/MetaboRank.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Compute the MetaboRank, a custom personalized PageRank for metabolic network. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/NetworkSummary/NetworkSummary.xml --- a/tools/networkAnalysis/NetworkSummary/NetworkSummary.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/NetworkSummary/NetworkSummary.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Create a report summarizing several graph measures characterising the structure of the network. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/PrecursorNetwork/PrecursorNetwork.xml --- a/tools/networkAnalysis/PrecursorNetwork/PrecursorNetwork.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/PrecursorNetwork/PrecursorNetwork.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Perform a network expansion from a set of compound targets to create a precursor network. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 +]]> @@ -40,4 +40,5 @@ + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/ScopeNetwork/ScopeNetwork.xml --- a/tools/networkAnalysis/ScopeNetwork/ScopeNetwork.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/ScopeNetwork/ScopeNetwork.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Perform a network expansion from a set of compound seeds to create a scope network met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/networkAnalysis/SideCompoundsScan/SideCompoundsScan.xml --- a/tools/networkAnalysis/SideCompoundsScan/SideCompoundsScan.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/networkAnalysis/SideCompoundsScan/SideCompoundsScan.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,11 +1,11 @@ - + Scan a network to identify side-compounds. met4j - oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.11.0 + oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:0.12.0 + diff -r dcd16521b969 -r 9b162ee6ff8e tools/tool_conf.xml --- a/tools/tool_conf.xml Fri Jun 10 10:31:34 2022 +0000 +++ b/tools/tool_conf.xml Mon Jun 27 13:41:08 2022 +0000 @@ -1,37 +1,37 @@ -
-
+