Difference between revisions of "Journal structure based mutation analysis (PKU)"
From Bioinformatikpedia
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== runAllMinimiser.sh == |
== runAllMinimiser.sh == |
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| + | Usage: runAllMinimiser.sh <filestem> <br> |
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| + | 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. |
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<source lang="bash"> |
<source lang="bash"> |
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Revision as of 07:08, 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">
- !/bin/sh
- 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>
