<?xml version='1.0' encoding='ASCII'?>
<ccp4i2>
  <ccp4i2_header>
    <function>DEF</function>
    <userId>mdw</userId>
    <creationTime>11:28 7/Jun/11</creationTime>
    <pluginVersion></pluginVersion>
    <ccp4iVersion>0.0.1</ccp4iVersion>
    <pluginName>pyphaser_mr</pluginName>
    <pluginTitle>pyPHASER_MR: molecular replacement</pluginTitle>
    <jobId/>
  </ccp4i2_header>
  <ccp4i2_body id="pyphaser_mr">
    <container id="inputData">

      <content id="F_SIGF">
        <className>CObsDataFile</className>
        <qualifiers>
          <correctColumns>FQ</correctColumns>
          <mustExist>True</mustExist>
          <allowUndefined>False</allowUndefined>
          <fromPreviousJob>True</fromPreviousJob>
        </qualifiers>
      </content>
      <content id="SPACEGROUP_IN">
        <className>CSpaceGroup</className>
      </content>

      <content id="ASU_COMPONENTS">
        <className>CAsuComponentList</className>
      </content>

      <content id="ENSEMBLES">
          <className>CEnsembleList</className>
      </content>

    </container>
    <container id="outputData">
      <content id="XMLOUT">
        <className>CXmlDataFile</className>
        <qualifiers/>
      </content>
      <content id="SOLUTION_LLG">
        <className>CList</className>
        <qualifiers>
          <listMaxLength>None</listMaxLength>
          <listMinLength>None</listMinLength>
        </qualifiers>
        <subItem>
          <className>CFloat</className>
        </subItem>
      </content>
      <content id="XYZOUT">
        <className>CList</className>
        <subItem>
          <className>CPdbDataFile</className>
   	  <qualifiers>
	    <saveToDb>True</saveToDb>
	  </qualifiers>
        </subItem>
      </content>
      <content id="HKLOUT">
        <className>CList</className>
        <subItem>
          <className>CMtzDataFile</className>
   	  <qualifiers>
	    <saveToDb>False</saveToDb>
	  </qualifiers>
        </subItem>
      </content>
      <content id="MAPOUT">
        <className>CList</className>
        <subItem>
          <className>CMapCoeffsDataFile</className>
   	  <qualifiers>
	    <saveToDb>True</saveToDb>
	  </qualifiers>
        </subItem>
      </content>
      <content id="DIFMAPOUT">
        <className>CList</className>
        <subItem>
          <className>CMapCoeffsDataFile</className>
   	  <qualifiers>
	    <saveToDb>True</saveToDb>
	  </qualifiers>
        </subItem>
      </content>
    </container>
    <container id="controlParameters">
      <content id="TITLE">
        <className>CString</className>
      </content>
      <content id="MODE">
        <className>CString</className>
        <qualifiers>
          <enumerators>MR_AUTO,MR_FRF,MR_FTF</enumerators>
          <onlyEnumerators>1</onlyEnumerators>
          <default>MR_AUTO</default>
        </qualifiers>
      </content>
      <content id="SEARCHMODE">
       <className>CString</className>
        <qualifiers>
	  <enumerators>alternatives,multidomain</enumerators>
	  <menuText>alternatives for one component,multi-components</menuText>
	  <default>multidomain</default>
        </qualifiers>
      </content>
      <content id="NUM_SOL_OUT">
        <className>CInt</className>
      </content>
      <content id="PACK_SELECT">
        <className>CString</className>
        <qualifiers>
          <enumerators>BEST,ALLOW,PERCENT,ALL</enumerators>
          <onlyEnumerators>1</onlyEnumerators>
          <default>PERCENT</default>
        </qualifiers>
      </content>
      <content id="PACK_CUTOFF">
        <className>CFloat</className>
      </content>
      <content id="PEAKS_ROT_CUTOFF">
        <className>CFloat</className>
      </content>
      <content id="PERMUTATIONS">
        <className>CBoolean</className>
        <qualifiers>
          <default>False</default>
        </qualifiers>
      </content>
      <content id="SGALT_SELECT">
          <className>CString</className>
          <qualifiers>
              <enumerators>ALL,HAND,LIST,NONE</enumerators>
              <onlyEnumerators>1</onlyEnumerators>
              <default>NONE</default>
          </qualifiers>
      </content>
      <content id="SGALT_TEST">
          <className>CAltSpaceGroupList</className>
      </content>
      <content id="RESOLUTION_HIGH">
        <className>CFloat</className>
       </content>
      <content id="NJOBS">
        <className>CInt</className>
      </content>
      <content id="ROOT">
        <className>CString</className>
      </content>
      <!--
       setCOMP_BY(str ["AVERAGE" | "SOLVENT" | "ASU" ])
       setCOMP_PERC(float <SOLVENT>)
       addCOMP_PROT_MW_NUM(float <MW>,float <NUM>)
       addCOMP_PROT_STR_NUM(str <SEQ>,float <NUM>)
       addCOMP_PROT_NRES_NUM(float <NRES>,float <NUM>)
       addCOMP_PROT_SEQ_NUM(str <FILE>,float <NUM>)
       addCOMP_NUCL_MW_NUM(float <MW>,float <NUM>)
       addCOMP_NUCL_STR_NUM(str <SEQ>,float <NUM>)
       addCOMP_NUCL_NRES_NUM(float <NRES>,float <NUM>)
       addCOMP_NUCL_SEQ_NUM(str <FILE>,float <NUM>)
       addCOMP_ATOM(str <TYPE>,float <NUM>)
       -->
      <content id="COMP_BY">
          <className>CString</className>
          <qualifiers>
              <enumerators>DEFAULT,MW,ASU</enumerators>
              <onlyEnumerators>1</onlyEnumerators>
              <default>DEFAULT</default>
          </qualifiers>
      </content>
      <content id="ASU_PROTEIN_MW">
          <className>CFloat</className>
          <qualifiers>
              <min>0</min>
          </qualifiers>
      </content>
      <content id="ASU_NUCLEICACID_MW">
          <className>CFloat</className>
          <qualifiers>
              <min>0</min>
          </qualifiers>
      </content>
    </container>
  </ccp4i2_body>
</ccp4i2>
