added depricated shell scripts
This commit is contained in:
parent
6103254442
commit
8d0bd8011f
8 changed files with 516 additions and 0 deletions
9
foldx/deprecated_shell_scripts/repairPDB.sh
Executable file
9
foldx/deprecated_shell_scripts/repairPDB.sh
Executable file
|
@ -0,0 +1,9 @@
|
|||
INDIR=$1
|
||||
PDB=$2
|
||||
OUTDIR=$3
|
||||
|
||||
logger "Running repairPDB"
|
||||
|
||||
#foldx --command=RepairPDB --pdb="${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}
|
Loading…
Add table
Add a link
Reference in a new issue