<?xml version='1.0' encoding='ASCII'?>
<ccp4:ccp4i2 xmlns:ccp4="http://www.ccp4.ac.uk/ccp4ns">
    <ccp4i2_header>
        <function>DEF</function>
        <comment></comment>
        <creationTime>16:17 20/Jul/12</creationTime>
        <userId>jonesie</userId>
        <ccp4iVersion>0.0.1</ccp4iVersion>
        <jobId/>
        <project></project>
        <pluginName>privateer</pluginName>
        <pluginVersion></pluginVersion>
        <pluginTitle>Validation of carbohydrate structures</pluginTitle>
        <jobNumber></jobNumber>
    </ccp4i2_header>
    <ccp4i2_body id="privateer">
						
	<container id="inputData">

            <content id="XYZIN">
                <className>CPdbDataFile</className>
                <qualifiers>
                    <requiredSubType>1,0</requiredSubType>
		    <default><subType>1</subType></default>
                    <allowUndefined>False</allowUndefined>
                    <fromPreviousJob>True</fromPreviousJob>
                </qualifiers>
	    </content>
            
            <content id="F_SIGF">
                <className>CObsDataFile</className>
                <qualifiers>
                    <mustExist>True</mustExist>
                    <fromPreviousJob>True</fromPreviousJob>
                    <allowUndefined>False</allowUndefined>
                </qualifiers>
            </content>

        </container>

	<container id="outputData">
 
            <content id="XMLOUT">
                <className>CXmlDataFile</className>
                <qualifiers>
                    <saveToDb>False</saveToDb>
                </qualifiers>
            </content>

            <content id="FPHIOUT">
                <className>CMapCoeffsDataFile</className>
                <qualifiers>
                    <saveToDb>True</saveToDb>
                    <default>
                        <contentFlag>1</contentFlag>
                        <subType>1</subType>
                    </default>
                </qualifiers>
            </content>        

            <content id="DIFFPHIOUT">
                <className>CMapCoeffsDataFile</className>
                <qualifiers>
                    <saveToDb>True</saveToDb>
                    <default>
                        <contentFlag>1</contentFlag>
                        <subType>2</subType>
                    </default>
                </qualifiers>
            </content>

            <content id="LIBOUT">
                <className>CDictDataFile</className>
                    <qualifiers>
                        <mimeTypeName>application/refmac-dictionary</mimeTypeName>
                        <mimeTypeDescription>Refmac5/Coot monomer dictionary</mimeTypeDescription>
                        <toolTip>Dictionary containing monoperiodic torsions for fixing distorted sugars.</toolTip>
                        <label>Privateer library</label>
                        <fileExtensions>cif</fileExtensions>
                    </qualifiers>
                </content>


            <content id="COOTSCRIPTOUT">
                <className>CCootHistoryDataFile</className>
            </content>

        </container>


        <container id="controlParameters">

            <content id="SHOWGEOM">
                <className>CBoolean</className>
                <qualifiers>
                    <default>False</default>
                </qualifiers>
            </content>

            <content id="RADIUSIN">
                <className>CFloat</className>
                <qualifiers>
                    <default>2.5</default>
                    <allowUndefined>True</allowUndefined>
                    <min>1.0</min>
                    <max>10.0</max>
                    <charWidth>4</charWidth>
                </qualifiers>
            </content>

            <content id="CODEIN">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>False</onlyEnumerators>
                    <allowUndefined>True</allowUndefined>
                    <minLength>3</minLength>
                    <maxLength>3</maxLength>
                    <charWidth>4</charWidth>
                    <guiLabel>Three-letter code </guiLabel>
                </qualifiers>
            </content>
            <content id="NEW_SUGAR">
                <className>CBoolean</className>
                <qualifiers>
                    <default>False</default>
                </qualifiers>
            </content>
            
            <content id="ANOMER">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>alpha,beta</menuText>
                    <enumerators>A,B</enumerators>
                    <charWidth>5</charWidth>
                    <default>A</default>
                </qualifiers>
            </content>
            
            <content id="HAND">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>-D-,-L-</menuText>
                    <charWidth>2</charWidth>
                    <enumerators>D,L</enumerators>
                    <default>D</default>
                </qualifiers>
            </content>
            
            
            <content id="RING_TYPE">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>furanose,pyranose</menuText>
                    <enumerators>furanose,pyranose</enumerators>
                    <default>pyranose</default>
                </qualifiers>
            </content>
            
            <content id="RING_OXYGEN">
                <className>CString</className>
                <qualifiers>
                    <default>O5</default>
                    <charWidth>3</charWidth>
                    <toolTip>Atom ID for the in-ring oxygen</toolTip>
                </qualifiers>
            </content>
            
            <content id="RING_C1">
                <className>CString</className>
                <qualifiers>
                    <default>C1</default>
                    <charWidth>3</charWidth>
                    <toolTip>Atom ID for the first carbon, clockwise</toolTip>
                </qualifiers>
            </content>
            
            <content id="RING_C2">
                <className>CString</className>
                <qualifiers>
                    <default>C2</default>
                    <charWidth>3</charWidth>
                    <toolTip>Atom ID for the second carbon, clockwise</toolTip>
                </qualifiers>
            </content>
            
            <content id="RING_C3">
                <className>CString</className>
                <qualifiers>
                    <default>C3</default>
                    <charWidth>3</charWidth>
                    <toolTip>Atom ID for the third carbon, clockwise</toolTip>
                </qualifiers>
            </content>
            
            <content id="RING_C4">
                <className>CString</className>
                <qualifiers>
                    <default>C4</default>
                    <charWidth>3</charWidth>
                    <toolTip>Atom ID for the fourth carbon, clockwise</toolTip>
                </qualifiers>
            </content>
            
            <content id="RING_C5">
                <className>CString</className>
                <qualifiers>
                    <default>C5</default>
                    <charWidth>3</charWidth>
                    <toolTip>Atom ID for the fifth carbon, clockwise</toolTip>
                </qualifiers>
            </content>
            
            <content id="CONFORMATION_PYRANOSE">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>4c1,1c4,3Ob,b25,14b,b3O,25b,b14,Oev,ev5,4ev,ev3,2ev,ev1,3ev,ev2,1ev,evO,5ev,ev4,Oh5,4h5,4h3,2h3,2h1,Oh1,3h2,1h2,1hO,5hO,5h4,3h4,Os2,1s5,1s3,2sO,5s1,3s1</menuText>
                    <enumerators>4c1,1c4,3Ob,b25,14b,b3O,25b,b14,Oev,ev5,4ev,ev3,2ev,ev1,3ev,ev2,1ev,evO,5ev,ev4,Oh5,4h5,4h3,2h3,2h1,Oh1,3h2,1h2,1hO,5hO,5h4,3h4,Os2,1s5,1s3,2sO,5s1,3s1</enumerators>
                    <default>4c1</default>
                </qualifiers>
            </content>
            
            <content id="CONFORMATION_FURANOSE">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>3t2,3ev,3t4,ev4,Ot4,Oev,Ot1,ev1,2t1,2ev,2t3,ev3,4t3,4ev,4tO,evO,1tO,1ev,1t2,ev2</menuText>
                    <enumerators>3t2,3ev,3t4,ev4,Ot4,Oev,Ot1,ev1,2t1,2ev,2t3,ev3,4t3,4ev,4tO,evO,1tO,1ev,1t2,ev2</enumerators>
                    <default>3t2</default>
                </qualifiers>
            </content>
            
            <content id="EXPRESSION">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>undefined,bacterial,fungal,yeast,plant,insect,mammalian,human</menuText>
                    <enumerators>undefined,bacterial,fungal,yeast,plant,insect,mammalian,human</enumerators>
                    <default>fungal</default>
                </qualifiers>
            </content>
            
            <content id="VERTICAL">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>vertical,horizontal</menuText>
                    <enumerators>vertical,horizontal</enumerators>
                    <default>horizontal</default>
                </qualifiers>
            </content>
            
            <content id="ESSENTIALS">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>Essentials of glycobiology,washed out (Privateer exclusive)</menuText>
                    <enumerators>essentials,privateer</enumerators>
                    <default>essentials</default>
                </qualifiers>
            </content>
            
            <content id="INVERT">
                <className>CString</className>
                <qualifiers>
                    <onlyEnumerators>True</onlyEnumerators>
                    <menuText>black,white</menuText>
                    <enumerators>black,white</enumerators>
                    <default>black</default>
                </qualifiers>
            </content>
      
        </container>
        
    </ccp4i2_body>
</ccp4:ccp4i2>
