comparison editconf.xml @ 6:bfb65cb551d8 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"

5:259a1b8a1a39

<tool id="gmx_editconf" name="GROMACS structure configuration" version="@VERSION@">
    <description>using editconf</description>
    <macros>
        <import>macros.xml</import>
    </macros>

    <expand macro="requirements" />

            <param name="dim" value="1.0" />
            <param name="type" value="cubic" />
            <output name="output" file="newbox.gro"/>
        </test>
        <test>
            <param name="input_file" value="npt.gro" ftype="gro"/>
            <param name="output_format" value="pdb" />
            <param name="config" value="false" />
            <output name="output" file="npt.pdb"/>
        </test>
    </tests>
    <help><![CDATA[

.. class:: infomark

6:bfb65cb551d8

<tool id="gmx_editconf" name="GROMACS structure configuration"  version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
    <description>using editconf</description>
    <macros>
        <token name="@GALAXY_VERSION@">0</token>
        <import>macros.xml</import>
    </macros>

    <expand macro="requirements" />

            <param name="dim" value="1.0" />
            <param name="type" value="cubic" />
            <output name="output" file="newbox.gro"/>
        </test>
        <test>
            <param name="input_file" value="newbox.gro" ftype="gro"/>
            <param name="output_format" value="pdb" />
            <param name="config" value="false" />
            <output name="output" file="newbox.pdb"/>
        </test>
    </tests>
    <help><![CDATA[

.. class:: infomark