Mercurial > repos > recetox > filter_compounds

diff macros.xml @ 1:686850eb1e64 draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author recetox
date Fri, 28 Jan 2022 16:21:21 +0000
parents 987357c6941c
children 8eb6e392c92b
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line diff
--- a/macros.xml	Thu Jan 07 11:30:13 2021 +0000
+++ b/macros.xml	Fri Jan 28 16:21:21 2022 +0000
@@ -1,6 +1,19 @@
 <macros>
     <token name="@TOOL_VERSION@">3.1.1</token>
 
+    <xml name="creator">
+        <creator>
+            <person
+                givenName="Karolína"
+                familyName="Trachtová"
+                url="https://github.com/trachtok" />
+            <organization
+                url="https://www.recetox.muni.cz/"
+                email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
+                name="RECETOX MUNI" />
+        </creator>
+    </xml>
+
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="@TOOL_VERSION@">openbabel</requirement>
@@ -14,4 +27,16 @@
             <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" />
         </stdio>
     </xml>
+
+    <token name="@HELP@">
+        <![CDATA[
+            .. class:: infomark
+
+            **What this tool does**
+
+            Filters organometallics (compounds containing atoms other than C|N|O|P|F|S|I|B|Si|Se|Cl|Br|Li|Na|H|K) or
+            anorganics (compounds without C). Input can be either list of SMILES identifiers or indexed table of SMILES
+            (two tab-separated columns, first column is index, second columns is SMILES).
+        ]]>
+    </token>
 </macros>