<?xml version='1.0' encoding='ASCII'?>
<ccp4:ccp4i2 xmlns:ccp4="http://www.ccp4.ac.uk/ccp4ns">
    <ccp4i2_header>
        <function>DEF</function>
        <comment></comment>
        <projectName></projectName>
        <userId>kovoleg</userId>
        <ccp4iVersion>0.0.1</ccp4iVersion>
        <jobId></jobId>
        <pluginName>morda_i2</pluginName>
        <pluginVersion></pluginVersion>
        <projectId></projectId>
        <creationTime>09:42 23/Dec/12</creationTime>
        <pluginTitle>MoRDA pipeline</pluginTitle>
        <jobNumber></jobNumber>
    </ccp4i2_header>
    <ccp4i2_body id="morda_i2">
        <container id="inputData">
            <content id="F_SIGF">
                <className>CObsDataFile</className>
                <qualifiers>
                    <mustExist>True</mustExist>
                    <allowUndefined>False</allowUndefined>
                    <fromPreviousJob>True</fromPreviousJob>
                    <toolTip>Reflection intensities or structure factor amplitudes</toolTip>
                </qualifiers>
            </content>
            <content id="FREERFLAG">
                <className>CFreeRDataFile</className>
                <qualifiers>
                    <mustExist>True</mustExist>
                    <allowUndefined>False</allowUndefined>
                    <fromPreviousJob>True</fromPreviousJob>
                    <sameCrystalAs>F_SIGF</sameCrystalAs>
                    <toolTip>Free R set corresponding to the reflection data.</toolTip>
                </qualifiers>
            </content>
            <content id="SEQIN">
                <className>CList</className>
                <subItem>
                    <className>CSeqDataFile</className>
                    <qualifiers>
                        <minLength>1</minLength>
                        <maxLength>1000</maxLength>
                        <mustExist>True</mustExist>
                        <allowUndefined>False</allowUndefined>
                        <fromPreviousJob>True</fromPreviousJob>
                    </qualifiers>
                </subItem>
                <qualifiers>
                    <toolTip>In case of protein-protein complex,
                        define sequences of components via a list of sequence objects,
                        list of fasta-files or a single multi-sequence fasta-file.</toolTip>
                </qualifiers>
            </content>
            <content id="ALTSG">
                <className>CBoolean</className>
                <qualifiers>
                    <default>True</default>
                    <toolTip>Check alternative space groups belonging
                        to the same Laue class</toolTip>
                </qualifiers>
            </content>
            <content id="NSTRUCT">
                <className>CInt</className>
                <qualifiers>
                    <default>3</default>
                    <min>1</min>
                    <max>30</max>
                    <toolTip>Number of PDB entries to derive search models from</toolTip>
                </qualifiers>
            </content>
            <content id="NCPU">
                <className>CInt</className>
                <qualifiers>
                    <default>1</default>
                    <min>1</min>
                    <max>8</max>
                    <toolTip>Number of CPUs for parallel refinement</toolTip>
                </qualifiers>
            </content>
            <content id="MOCK_PAUSE">
                <className>CFloat</className>
                <qualifiers>
                    <min>0</min>
                    <charWidth>4</charWidth>
                    <allowUndefined>True</allowUndefined>
                </qualifiers>
            </content>
            <content id="CHECK_PAUSE">
                <className>CFloat</className>
                <qualifiers>
                    <min>0</min>
                    <charWidth>4</charWidth>
                    <allowUndefined>True</allowUndefined>
                </qualifiers>
            </content>
            <content id="MOCK_DIR">
                <className>CDataFile</className>
                <qualifiers>
                    <isDirectory>True</isDirectory>
                    <mustExist>True</mustExist>
                    <allowUndefined>True</allowUndefined>
                    <toolTip>Use existing working directory for rerun and for testing this interface</toolTip>
                </qualifiers>
            </content>
        </container>
        <container id="outputData">
            <content id="XYZOUT">
                <className>CPdbDataFile</className>
                <qualifiers>
                    <default>
                        <subType>1</subType>
                    </default>
                    <saveToDb>True</saveToDb>
                </qualifiers>
            </content>
            <content id="FPHIOUT">
                <className>CMapCoeffsDataFile</className>
                <qualifiers>
                    <default>
                        <subType>1</subType>
                        <contentFlag>1</contentFlag>
                    </default>
                    <saveToDb>True</saveToDb>
                </qualifiers>
            </content>
            <content id="DIFFPHIOUT">
                <className>CMapCoeffsDataFile</className>
                <qualifiers>
                    <subType>2</subType>
                    <contentFlag>1</contentFlag>
                    <saveToDb>True</saveToDb>
                </qualifiers>
            </content>
            <content id="PERFORMANCE">
                <className>CRefinementPerformance</className>
                <qualifiers/>
            </content>
            <content id="COOTSCRIPTOUT">
                <className>CCootHistoryDataFile</className>
                <saveToDb>True</saveToDb>
            </content>
        </container>
    </ccp4i2_body>
</ccp4:ccp4i2>
