<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>
