9 lines
354 B
Bash
Executable file
9 lines
354 B
Bash
Executable file
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=${OUTDIR}
|
|
|
|
foldx --command=RepairPDB --pdb-dir=${INDIR} --pdb=${PDB} --ionStrength=0.05 --pH=7 --water=PREDICT --vdwDesign=1 outPDB=true --output-dir=${OUTDIR}
|