Mercurial > repos > recetox > rem_complex

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/rem_complex commit 0ea5c86ceabe9f24dd61b399127b0d19a0ae2657
author recetox
date Fri, 01 Dec 2023 11:19:32 +0000
parents a0e07a0bc047
children
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<macros>
    <token name="@TOOL_VERSION@">1.0.0</token>
    <xml name="creator">
    <creator>
        <person
            givenName="Wudmir"
            familyName="Rojas"
            url="https://github.com/wverastegui"
            identifier="0000-0001-7036-9987" />
        <person
            givenName="Helge"
            familyName="Hecht"
            url="https://github.com/hechth"
            identifier="0000-0001-6744-996X" />
        <organization
            url="https://www.recetox.muni.cz/"
            email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
            name="RECETOX MUNI"/>
    </creator>
    </xml>
    <token name="@HELP@"><![CDATA[
            The remove complex tool filters out coordination complexes from a list of SMLES or InChI.
        
            Documentation
                The rem complex tool removes coordination complexes from a list of SMLES or InChI. The tool accepts input files with csv, smi and inchi formats, 
                and returns the same format as the input file. The tool is based on the openbabel python library.        
    ]]>
    </token>
</macros>