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test2 bugfixes

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This commit is contained in:
Tanushree Tunstall 2021-02-08 15:24:22 +00:00
parent 4d03a43c4a
commit a67156bc87
13 changed files with 851 additions and 69 deletions
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10
foldx/test2/mutruncomplex.sh Executable file
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@ -0,0 +1,10 @@
PDB=$1
A=$2
B=$3
n=$4
OUTDIR=$5
cd ${OUTDIR}
logger "Running mutruncomplex"
foldx --command=AnalyseComplex --pdb="${PDB}_Repair_${n}.pdb" --analyseComplexChains=${A},${B} --water=PREDICT --vdwDesign=1
cp ${OUTDIR}/Summary_${PDB}_Repair_${n}_AC.fxout ${OUTDIR}/Summary_${PDB}_Repair_${n}_AC.txt
#sed -i .bak -e 1,8d ${OUTDIR}/Summary_${PDB}_Repair_${n}_AC.txt