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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit b757d35278216a1f43bd53ea687a951b005e47df
author recetox
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>