view macros.xml @ 2:6e1ef071fffc draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/xtb commit 68505a19637f8374cc5bde7e6b9370647a064ca9
author recetox
date Thu, 25 Jul 2024 14:27:18 +0000
parents d5633eaf3552
children
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<macros>
    <token name="@TOOL_VERSION@">6.6.1</token>
    <xml name="edam">
        <edam_topics>
            <edam_topic>topic_3332</edam_topic>
        </edam_topics>
        <edam_operations>
            <edam_operation>operation_0297</edam_operation>
        </edam_operations>
    </xml>
    <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[
            XTB Molecular Optimization handles coord and XYZ input formats, as well as, several levels of optimization.
        
            Documentation
                The xTB molecular optimization tool is based on the Semiempirical Tight Binding method GFNn-xTB implemented in the xtb (extended tight binding) 
                program package. Detailed documentation for the xtb program can be found in https://xtb-docs.readthedocs.io/en/latest/optimization.html.        
    ]]>
    </token>
</macros>