<?xml version='1.0' encoding='ASCII'?>
<ccp4:ccp4i2 xmlns:ccp4="http://www.ccp4.ac.uk/ccp4ns">
  <ccp4i2_header>
    <function>PARAMS</function>
    <pluginName>refmac_wrk</pluginName>
  </ccp4i2_header>
  <ccp4i2_body>
    <inputData>
      <XYZIN>
        <project>FULLPATH</project>
        <relPath>/Applications/ccp4-6.2.0/examples/data</relPath>
        <baseName>insulin_2bn3.pdb</baseName>
      </XYZIN>
      <HKLIN>
        <project>FULLPATH</project>
        <relPath>/Applications/ccp4-6.2.0/examples/data</relPath>
        <baseName>SSADinsulin.mtz</baseName>
      </HKLIN>
      <F_ANO>
        <F_plus>F_CuKa(+)</F_plus>
        <SIGF_plus>SIGF_CuKa(+)</SIGF_plus>
        <F_minus>F_CuKa(-)</F_minus>
        <SIGF_minus>SIGF_CuKa(-)</SIGF_minus>
      </F_ANO>
      <FREERFLAG>
        <FREE>FreeR_flag</FREE>
      </FREERFLAG>
    </inputData>
    <controlParameters>
      <REFINE_TYPE>RIGID</REFINE_TYPE>
      <INPUT_PHASE>SAD</INPUT_PHASE>
      <EXCLUDE_RESOLUTION>True</EXCLUDE_RESOLUTION>
      <EXCLUDE_RESOLUTION_MIN>100.0</EXCLUDE_RESOLUTION_MIN>
      <EXCLUDE_RESOLUTION_MAX>1.0</EXCLUDE_RESOLUTION_MAX>
      <ANOMALOUS_ATOMS>
        <item>
          <atomType>S</atomType>
          <Fp>-1.0</Fp>
          <Fpp>1.0</Fpp>
        </item>
      </ANOMALOUS_ATOMS>
      <AUTO_WEIGHTING>False</AUTO_WEIGHTING>
      <MATRIX_WEIGHT>0.05</MATRIX_WEIGHT>
      <RIGID_GROUP_LIST>
        <item>
          <segmentList>
            <item>
              <chain_id>A</chain_id>
              <residue_1>1</residue_1>
              <residue_2>10</residue_2>
            </item>
            <item>
              <chain_id>A</chain_id>
              <residue_1>11</residue_1>
              <residue_2>21</residue_2>
            </item>
          </segmentList>
        </item>
        <item>
          <segmentList>
            <item>
              <chain_id>B</chain_id>
              <residue_1>1</residue_1>
              <residue_2>10</residue_2>
            </item>
            <item>
              <chain_id>B</chain_id>
              <residue_1>11</residue_1>
              <residue_2>30</residue_2>
            </item>
          </segmentList>
        </item>
      </RIGID_GROUP_LIST>
    </controlParameters>
  </ccp4i2_body>
</ccp4:ccp4i2>
