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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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1
foldx/runcomplex.sh
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@ -7,4 +7,3 @@ 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