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<job_desc>
<task>
<application>cmdock</application>
<stdout_filename>docking_log</stdout_filename>
<command_line>-c -j 1 -b 1 -x -r target.prm -p "@PREFIX@/data/scripts/dock.prm" -f htvs.ptc -i ligands.sdf -o docking_out</command_line>
<checkpoint_filename>docking_out.chk</checkpoint_filename>
<fraction_done_filename>docking_out.progress</fraction_done_filename>
<setenv>CMDOCK_ROOT=@PREFIX@</setenv>
<setenv>LD_LIBRARY_PATH=@PREFIX@/lib:$LD_LIBRARY_PATH</setenv>
<setenv>PERL5LIB=@PREFIX@/lib:$PERL5LIB</setenv>
</task>
<unzip_input>
<zipfilename>ligands.zip</zipfilename>
</unzip_input>
</job_desc>
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