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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 7a9b16255a
commit 1f8cfc2403
13 changed files with 851 additions and 69 deletions
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7
foldx/test2/runPrintNetworks.sh Executable file
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@ -0,0 +1,7 @@
PDB=$1
n=$2
OUTDIR=$3
logger "Running runPrintNetworks"
cd ${OUTDIR}
foldx --command=PrintNetworks --pdb="${PDB}_Repair_${n}.pdb" --water=PREDICT --vdwDesign=1 --output-dir=${OUTDIR}