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8f10f75977
This reverts commit 1298cd2534.
Signed-off-by: Anna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>
16 lines
632 B
XML
16 lines
632 B
XML
<job_desc>
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<task>
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<application>@PREFIX@/build/cmdock</application>
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<stdout_filename>docking_log</stdout_filename>
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<command_line>-c -j 1 -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@/build:$LD_LIBRARY_PATH</setenv>
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<setenv>PERL5LIB=@PREFIX@/lib:$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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