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<job_desc>
<task>
<application>/opt/cmdock/build/cmdock-0.1.2</application>
<stdout_filename>docking_log</stdout_filename>
<command_line>-r target.prm -p /opt/cmdock-0.1.2/data/scripts/dock.prm -f htvs.ptc -i ligands.sdf -o docking_out</command_line>
<setenv>CMDOCK_ROOT=/opt/cmdock-0.1.2</setenv>
<setenv>LD_LIBRARY_PATH=/opt/cmdock-0.1.2/build:$LD_LIBRARY_PATH</setenv>
<setenv>PERL5LIB=/opt/cmdock-0.1.2/lib:$PERL5LIB</setenv>
</task>
</job_desc>
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