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16 lines
625 B
XML
16 lines
625 B
XML
<job_desc>
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<task>
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<application>cmdock</application>
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<stdout_filename>docking_log</stdout_filename>
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<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>
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<checkpoint_filename>docking_out.chk</checkpoint_filename>
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<fraction_done_filename>docking_out.progress</fraction_done_filename>
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<setenv>CMDOCK_ROOT=@PREFIX@</setenv>
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<setenv>LD_LIBRARY_PATH=@PREFIX@/lib:$LD_LIBRARY_PATH</setenv>
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<setenv>PERL5LIB=@PREFIX@/lib:$PERL5LIB</setenv>
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</task>
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<unzip_input>
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<zipfilename>ligands.zip</zipfilename>
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</unzip_input>
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</job_desc>
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