Mercurial > repos > oscar_b > chainrenamer

<tool id="chain_renamer" name="Chain_Renamer" version="0.5.0">
    <description>Renames protein chains in MD ensemble to their original chain IDs</description>
    <requirements>
       <requirement type="package" version="8">openjdk</requirement>
    </requirements>
    <command detect_errors="aggressive"><![CDATA[
        java -Djava.awt.headless=true -jar '$__tool_directory__/ChainRenamer.jar' '$input'
    ]]></command>
    <inputs>
        <param name="input" type="data" format="pdb" label="MD Ensemble chains to be renamed"/>
    </inputs>
    <outputs>
        <data name="output" format="pdb" label="Correct chain IDs from ${on_string}"/>
    </outputs>
    <tests>
        <test>
            <param name="input" ftype="pdb" value="2hdx-READY-ALIGNED.pdb"/>
            <output name="output">
                <assert_contents>
                    <has_text text="813"/>
		</assert_contents>
            </output>
        </test>
    </tests>
    <help><![CDATA[
This program renames the chain IDs of an ensemble proceeding from MD so that the original and correct chain IDs are in their correct location
    ]]></help>
</tool>
author	oscar_b
date	Fri, 21 Jun 2019 14:41:29 -0400
parents	1d5378868593
children