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added depricated shell scripts

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This commit is contained in:
Tanushree Tunstall 2021-02-10 10:36:02 +00:00
parent 98287b3c20
commit 491b317752
8 changed files with 516 additions and 0 deletions
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9
foldx/deprecated_shell_scripts/runcomplex.sh Executable file
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@ -0,0 +1,9 @@
PDB=$1
A=$2
B=$3
OUTDIR=$4
cd ${OUTDIR}
logger "Running runcomplex"
foldx --command=AnalyseComplex --pdb="${PDB}_Repair.pdb" --analyseComplexChains=${A},${B} --water=PREDICT --vdwDesign=1 --output-dir=${OUTDIR}
cp ${OUTDIR}/Summary_${PDB}_Repair_AC.fxout ${OUTDIR}/Summary_${PDB}_Repair_AC.txt
#sed -i .bak -e 1,8d ${OUTDIR}/Summary_${PDB}_Repair_AC.txt