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Tanushree Tunstall 2021-02-08 16:16:53 +00:00
parent fa25a30dcf
commit 99b77434b5
3 changed files with 7 additions and 4 deletions
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2
foldx/test2/repairPDB.sh
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@ -1,7 +1,7 @@
INDIR=$1
PDB=$2
OUTDIR=$3
cd ${OUTDIR}
logger "Running repairPDB"
#foldx --command=RepairPDB --pdb="${PDB}.pdb" --ionStrength=0.05 --pH=7 --water=PREDICT --vdwDesign=1 outPDB=true --output-dir=${OUTDIR}