[Debian Wiki] Update of "BOINC/Server/Projects/AutoDock" by NataliaNikitina
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Fri Feb 21 10:33:25 UTC 2014
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The "BOINC/Server/Projects/AutoDock" page has been changed by NataliaNikitina:
https://wiki.debian.org/BOINC/Server/Projects/AutoDock?action=diff&rev1=9&rev2=10
{{{#!highlight bash
#/bin/bash
-
#Call: ./get_top_energies.sh [DIRECTORY WITH RESULT FILES (DEFAULT '.')] [NUMBER OF HITS (DEFAULT 10)]
-
TOP=10
OUTPUTSDIR='.'
if [ $# -ge 1 ] ; then
@@ -69, +67 @@
exit
fi
fi
-
for f in ${OUTPUTSDIR}/*_0 #output file with top binding affinities, generated by BOINC assimilator
do
echo -n `basename $f`; sed -n '/-+-/{n;p}' $f #choose the best one for this compound (others may be useful later)
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