Mercurial > repos > recetox > filter_compounds
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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit b757d35278216a1f43bd53ea687a951b005e47df
author | recetox |
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date | Wed, 20 Mar 2024 12:20:17 +0000 |
parents | 72b687d21f65 |
children |
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<macros> <token name="@TOOL_VERSION@">3.1.1</token> <token name="@GALAXY_VERSION@">2</token> <xml name="creator"> <creator> <person givenName="KarolĂna" 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> <requirement type="package" version="3">python</requirement> <yield /> </requirements> </xml> <xml name="stdio"> <stdio> <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>