Mercurial > repos > metexplore > met4j_formulamapper

changeset 1:927af2eb6534 draft default tip

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planemo upload for repository https://forge.inrae.fr/metexplore/met4j-galaxy commit 71335d4a636672d264cc4f443c07856907571928
author metexplore
date Fri, 21 Nov 2025 10:20:11 +0000
parents c9f248f68f60
children
files FormulaMapper.xml
diffstat 1 files changed, 4 insertions(+), 2 deletions(-) [+]
line wrap: on
line diff
--- a/FormulaMapper.xml	Tue Oct 28 15:01:20 2025 +0000
+++ b/FormulaMapper.xml	Fri Nov 21 10:20:11 2025 +0000
@@ -1,6 +1,6 @@
 <?xml version="1.0" encoding="UTF-8" standalone="no"?>
 <tool id="met4j_FormulaMapper" name="FormulaMapper" version="@TOOL_VERSION@">
-  <description>Map a list of formulas against metabolites from a SBML file</description>
+  <description>Retrieve metabolites in a SBML file from their chemical formula</description>
   <macros>
     <import>macros.xml</import>
   </macros>
@@ -20,7 +20,9 @@
     <data format="tsv" name="outputPath"/>
   </outputs>
   <tests/>
-  <help><![CDATA[
+  <help><![CDATA[Retrieve metabolites in a SBML file from their chemical formula. 
+The SBML file is expected to contain fbc:chemicalFormula attributes for species entries.
+The input formula file should contain one formula per line. The output is a tab delimited file with two columns: query formula, sbml metabolite id (one line per match)
 @ATTRIBUTION@]]></help>
   <citations/>
 </tool>