<?xml version='1.0' encoding='ASCII'?>
<ccp4i2>
  <ccp4i2_header>
    <function>PARAMS</function>
    <creationTime>13:15 15/Dec/10</creationTime>
    <userId>cowtan</userId>
    <ccp4iVersion>0.0.1</ccp4iVersion>
    <pluginName>buccaneer_build_refine</pluginName>
    <pluginTitle>Buccaneer automated model building</pluginTitle>
    <jobId/>
  </ccp4i2_header>
  <ccp4i2_body>
    <inputData>
      <F_SIGF>
        <project>CCP4I2_TOP</project>
        <baseName>rnase25_FSIGF.mtz</baseName>
        <relPath>wrappers/buccaneer/test_data</relPath>
      </F_SIGF>
      <ABCD>
        <project>CCP4I2_TOP</project>
        <baseName>rnase25_ABCD.mtz</baseName>
        <relPath>wrappers/buccaneer/test_data</relPath>
      </ABCD>
      <FREERFLAG>
        <project>CCP4I2_TOP</project>
        <baseName>rnase25_FREER.mtz</baseName>
        <relPath>wrappers/buccaneer/test_data</relPath>
      </FREERFLAG>
      <SEQIN>
        <project>CCP4I2_TOP</project>
        <baseName>rnase.pir</baseName>
        <relPath>wrappers/buccaneer/test_data</relPath>
      </SEQIN>
      <XYZIN>
        <project/>
        <baseName/>
        <relPath/>
      </XYZIN>
      <XYZIN_MR>
        <project/>
        <baseName/>
        <relPath/>
      </XYZIN_MR>
      <XYZIN_SEQ>
        <project/>
        <baseName/>
        <relPath/>
      </XYZIN_SEQ>
    </inputData>
    <outputData>
      <XYZOUT>
        <project>CCP4I2_TEST</project>
        <baseName>buildrefine.pdb</baseName>
      </XYZOUT>
      <XMLOUT>
        <project>CCP4I2_TEST</project>
        <baseName>buildrefine.xml</baseName>
      </XMLOUT>
    </outputData>
    <controlParameters>
      <HKLIN_REF>
        <project/>
        <baseName/>
        <relPath/>
      </HKLIN_REF>
      <F_SIGF_REF>
        <FP></FP>
        <SIGFP></SIGFP>
      </F_SIGF_REF>
      <ABCD_REF>
        <HLA></HLA>
        <HLB></HLB>
        <HLC></HLC>
        <HLD></HLD>
      </ABCD_REF>
      <XYZIN_REF>
        <project/>
        <baseName/>
        <relPath/>
      </XYZIN_REF>
      <TITLE/>
      <CYCLES>2</CYCLES>
      <BUCCANEER_CYCLES/>
      <BUCCANEER_ANISOTROPY_CORRECTION/>
      <BUCCANEER_FAST/>
      <BUCCANEER_BUILD_SEMET/>
      <BUCCANEER_FIX_POSITION/>
      <BUCCANEER_CORRELATION_MODE/>
      <BUCCANEER_RESOLUTION/>
      <BUCCANEER_SEQUENCE_RELIABILITY/>
      <BUCCANEER_NEW_RESIDUE_NAME/>
      <BUCCANEER_JOBS/>
      <BUCCANEER_VERBOSE/>
    </controlParameters>
  </ccp4i2_body>
</ccp4i2>
