9 lines
492 B
Bash
Executable file
9 lines
492 B
Bash
Executable file
PDB=$1
|
|
OUTDIR=$2
|
|
cd ${OUTDIR}
|
|
pwd
|
|
ls -l
|
|
logger "Running runfoldx"
|
|
foldx --command=BuildModel --pdb="${PDB}_Repair.pdb" --mutant-file="individual_list_${PDB}.txt" --ionStrength=0.05 --pH=7 --water=PREDICT --vdwDesign=1 --out-pdb=true --numberOfRuns=1 --output-dir=${OUTDIR}
|
|
foldx --command=PrintNetworks --pdb="${PDB}_Repair.pdb" --water=PREDICT --vdwDesign=1 --output-dir=${OUTDIR}
|
|
foldx --command=SequenceDetail --pdb="${PDB}_Repair.pdb" --water=PREDICT --vdwDesign=1 --output-dir=${OUTDIR}
|