Difference between revisions of "Journal structure based mutation analysis (PKU)"

From Bioinformatikpedia
(Created page with "== runAllMinimiser.sh == <source lang="bash"> #!/bin/sh #only for use in the biolab if [ -f /opt/SS12-Practical/minimise/minimise ]; then echo minimise has been located echo …")
 
(runAllMinimiser.sh)
Line 1: Line 1:
 
== runAllMinimiser.sh ==
 
== runAllMinimiser.sh ==
  +
  +
Usage: runAllMinimiser.sh <filestem> <br>
  +
where filestem is the name of the pdb-file you want to start your minimization on, without the .pdb-ending. The rest of the script is done automaticly.
 
<source lang="bash">
 
<source lang="bash">
   

Revision as of 08:08, 22 June 2012

runAllMinimiser.sh

Usage: runAllMinimiser.sh <filestem>
where filestem is the name of the pdb-file you want to start your minimization on, without the .pdb-ending. The rest of the script is done automaticly. <source lang="bash">

  1. !/bin/sh
  2. only for use in the biolab

if [ -f /opt/SS12-Practical/minimise/minimise ]; then

echo minimise has been located
echo starting for ${1}.pdb
i=0
while [ $i != 5 ]; do
 echo iteration $i
 if [ $i -eq 0 ]; then
  echo "calling: /opt/SS12-Practical/minimise/minimise ${1}.pdb ${1}_min1.pdb > minimise${1}_1.log 2> /dev/null"
  /opt/SS12-Practical/minimise/minimise ${1}.pdb ${1}_min1.pdb > minimise${1}_1.log 2> /dev/null
 else
  next=$((i+1))
  echo "calling: /opt/SS12-Practical/minimise/minimise ${1}_min${i}.pdb ${1}_min${next}.pdb > minimise${1}_${next}.log 2> /dev/null"
  /opt/SS12-Practical/minimise/minimise ${1}_min${i}.pdb ${1}_min${next}.pdb > minimise${1}_${next}.log 2> /dev/null
 fi
 i=$((i+1)) 
done

fi echo end

</source>