Mercurial > repos > iuc > rrparser

changeset 2:14f811f46fe3 draft

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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rrparser commit 83279dc554c34566720f3857ac914a2e4fd85a8d
author iuc
date Thu, 20 Mar 2025 07:24:04 +0000
parents 7ee6e2bc2936
children e5b1f1d99918
files rrparser.xml
diffstat 1 files changed, 6 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/rrparser.xml	Thu Apr 13 07:26:47 2023 +0000
+++ b/rrparser.xml	Thu Mar 20 07:24:04 2025 +0000
@@ -2,7 +2,7 @@
     <description>Retrieve the reaction rules from RetroRules</description>
     <macros>
         <token name="@VERSION_SUFFIX@">0</token>
-        <token name="@TOOL_VERSION@">2.5.2</token>
+        <token name="@TOOL_VERSION@">2.6.0</token>
     </macros>
     <requirements>
         <requirement type="package" version="@TOOL_VERSION@">rrparser</requirement>
@@ -38,6 +38,9 @@
                 <option value="all">RetroRules (all)</option>
                 <option value="rules-file">Other reaction rules...</option>
             </param>
+            <when value="retro"/>
+            <when value="forward"/>
+            <when value="all"/>
             <when value="rules-file">
                 <param name="file" type="data" format="csv" optional="False" label="Rules File" help="Filename of reaction rules"/>
                 <param name="input_format" type="select" optional="False" label="File format" help="Input file format (default: csv)">
@@ -90,7 +93,7 @@
 
 Retrieve the reaction rules from `RetroRules <https://retrorules.org/>`_ extracted from public databases and expressed in the community-standard SMARTS (SMILES arbitrary target specification) format, augmented by a rule representation at different levels of specificity (the atomic environment around the reaction center).
 
-The generated output is a file containing reaction rules which are generic descriptions of chemical reactions that can be used in retrosynthesis workflows (e.g. `Retrosynthesis KNIME Workflow <https://www.myexperiment.org/workflows/4987/versions/2.html>`_) in order to enumerate all possible biosynthetic routes connecting a target molecule to its precursors.
+The generated output is a file containing reaction rules which are generic descriptions of chemical reactions that can be used in retrosynthesis workflows (e.g. Retrosynthesis KNIME Workflow) in order to enumerate all possible biosynthetic routes connecting a target molecule to its precursors.
 
 Input
 -----
@@ -108,7 +111,7 @@
 Version
 -------
 
-v2.5.0
+v2.6.0
 
 Authors
 -------