<?xml version='1.0' encoding='ASCII'?>
<ccp4:ccp4i2 xmlns:ccp4="http://www.ccp4.ac.uk/ccp4ns">
  <ccp4i2_header>
    <function>DEF</function>
    <comment></comment>
    <creationTime>Current</creationTime>
    <userId>stevenkj</userId>
    <ccp4iVersion>0.0.1</ccp4iVersion>
    <jobId/>
    <project></project>
    <pluginName>acorn</pluginName>
    <pluginVersion></pluginVersion>
    <pluginTitle>Experimental Phasing with Acorn</pluginTitle>
    <jobNumber></jobNumber>
  </ccp4i2_header>
  <ccp4i2_body id="acorn">
  
    <container id="inputData">
	
	  <content id="F_SIGF">
	  	<className>CObsDataFile</className>
	  	<qualifiers>
          <mustExist>True</mustExist>
          <fromPreviousJob>True</fromPreviousJob>
          <allowUndefined>False</allowUndefined>
          <toolTip>Reflection data</toolTip>
        </qualifiers>
	  </content>
	  
	  <content id="FREERFLAG">
        <className>CFreeRDataFile</className>
        <qualifiers>
          <mustExist>False</mustExist>
          <allowUndefined>True</allowUndefined>
          <fromPreviousJob>True</fromPreviousJob>
          <sameCrystalAs>F_SIGF</sameCrystalAs>
	  	  <sameCrystalLevel>1</sameCrystalLevel>
        </qualifiers>
      </content>
      
      <content id="ABCD">
        <className>CPhsDataFile</className>
        <qualifiers>
	      <mustExist>True</mustExist>
	      <fromPreviousJob>True</fromPreviousJob>
          <allowUndefined>True</allowUndefined>
	      <sameCrystalAs>F_SIGF</sameCrystalAs>
	      <toolTip>Phase information</toolTip>
        </qualifiers>
      </content>
    
      <content id="XYZIN">
        <className>CPdbDataFile</className>
        <qualifiers>
          <ifAtomSelection>True</ifAtomSelection>
          <mustExist>True</mustExist>
          <fromPreviousJob>True</fromPreviousJob>
          <allowUndefined>True</allowUndefined>
          <requiredSubType>1,0</requiredSubType>
          <toolTip>File containing model coordinates (PDB/mmCIF).</toolTip>
        </qualifiers>
      </content>
      
      <content id="PERFORMANCE">
        <className>CExpPhasPerformance</className>
      </content>
      
    </container>
    
    <container id="controlParameters">

      <content id="ACORN_PHSIN_TYPE">
        <className>CString</className>
        <qualifiers>
          <onlyEnumerators>True</onlyEnumerators>
          <menuText>known co-ordinate set, initial phase set</menuText>
          <enumerators>model,phases</enumerators>
          <default>model</default>
        </qualifiers>
      </content>

      <content id="ACORN_ECALC">
        <className>CBoolean</className>
        <qualifiers>
          <default>True</default>
        </qualifiers>
      </content>

      <content id="ACORN_EXTEND">
        <className>CBoolean</className>
        <qualifiers>
          <default>True</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_EXTENDRES">
        <className>CFloat</className>
        <qualifiers>
          <default>1.0</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_ANISOTROPY">
        <className>CBoolean</className>
        <qualifiers>
          <default>True</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_BGRID">
        <className>CBoolean</className>
        <qualifiers>
          <default>False</default>
        </qualifiers>
      </content>
      
      <content id="ACOGEN_GRID">
      	<className>CFloat</className>
     	<qualifiers>
          <default>0.3333</default>
        </qualifiers>
      </content>
            
      <content id="ACORN_BSEED">
        <className>CBoolean</className>
        <qualifiers>
          <default>False</default>
        </qualifiers>
      </content>
      
      <content id="ACOGEN_SEED">
      	<className>CInt</className>
    	<qualifiers>
          <default>1</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_BRESOL">
        <className>CBoolean</className>
        <qualifiers>
          <default>False</default>
        </qualifiers>
      </content>
      
      <content id="ACOREF_RESOLL">
      	<className>CFloat</className>
    	<qualifiers>
          <default>50.0</default>
        </qualifiers>
      </content>
      
      <content id="ACOREF_RESOLU">
      	<className>CFloat</className>
    	<qualifiers>
          <default>1.0</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_BEXCLUDE">
      	<className>CBoolean</className>
    	<qualifiers>
          <default>False</default>
        </qualifiers>
      </content>
      <content id="ACORN_BECUT">
      	<className>CBoolean</className>
    	<qualifiers>
          <default>False</default>
        </qualifiers>
      </content>
      
      <content id="ACOREF_EXCLUDE">
      	<className>CFloat</className>
    	<qualifiers>
          <default>0.0</default>
        </qualifiers>
      </content>
      
      <content id="ACOREF_ECUT">
      	<className>CFloat</className>
    	<qualifiers>
          <default>5.0</default>
        </qualifiers>
      </content>
      
      <content id="ACOPH_NUMTRIALS">
        <className>CInt</className>
        <qualifiers>
          <default>10</default>
        </qualifiers>
      </content>
      
      <content id="ACOPH_PATSUP">
        <className>CBoolean</className>
        <qualifiers>
          <default>True</default>
        </qualifiers>
      </content>
      
      <content id="ACOPH_MAXSET">
        <className>CInt</className>
        <qualifiers>
          <default>100</default>
        </qualifiers>
      </content>
      
      <content id="ACOPH_CUTDDM">
        <className>CFloat</className>
        <qualifiers>
          <default>3.0</default>
        </qualifiers>
      </content>
      
       <content id="ACOPH_PSFINISH">
        <className>CFloat</className>
        <qualifiers>
          <default>0.8</default>
        </qualifiers>
      </content>
      
      <content id="ACOPH_CCFINISH">
        <className>CFloat</className>
        <qualifiers>
          <default>0.25</default>
        </qualifiers>
      </content>
      
      <content id="ACOMPS_PEAKSEARCH">
      	<className>CBoolean</className>
      	<qualifiers>
    	  <default>False</default>
      	</qualifiers>
      </content>
      
      <content id="ACOMPS_MAXPEAKS">
        <className>CInt</className>
        <qualifiers>
          <default>40</default>
        </qualifiers>
      </content>
      
      <content id="ACOMPS_RMSMULT">
        <className>CFloat</className>
        <qualifiers>
          <default>5.0</default>
        </qualifiers>
      </content>

      <content id="ACORN_MODEL_USE">
        <className>CString</className>
        <qualifiers>
          <onlyEnumerators>True</onlyEnumerators>
          <menuText>all atoms,fragment of fixed length,set of fragments</menuText>
          <enumerators>all,one,set</enumerators>
          <default>all</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_NSTART">
        <className>CInt</className>
        <qualifiers>
          <default>1</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_NAFRAG">
        <className>CInt</className>
        <qualifiers>
          <default>1</default>
        </qualifiers>
      </content>
      
      <content id="ACORN_POSI">
        <className>CInt</className>
        <qualifiers>
          <default>1</default>
        </qualifiers>
      </content>
      
    </container>
  
    
    <container id="outputData">

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

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

  </ccp4i2_body>
</ccp4:ccp4i2>
