[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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