test2 bugfixes
This commit is contained in:
parent
4d03a43c4a
commit
a67156bc87
13 changed files with 851 additions and 69 deletions
9
foldx/test2/runfoldx.sh
Executable file
9
foldx/test2/runfoldx.sh
Executable file
|
@ -0,0 +1,9 @@
|
|||
PDB=$1
|
||||
OUTDIR=$2
|
||||
cd ${OUTDIR}
|
||||
pwd
|
||||
ls -l
|
||||
logger "Running runfoldx"
|
||||
foldx --command=BuildModel --pdb="${PDB}_Repair.pdb" --mutant-file="individual_list_${PDB}.txt" --ionStrength=0.05 --pH=7 --water=PREDICT --vdwDesign=1 --out-pdb=true --numberOfRuns=1 --output-dir=.
|
||||
foldx --command=PrintNetworks --pdb="${PDB}_Repair.pdb" --water=PREDICT --vdwDesign=1 --output-dir=.
|
||||
foldx --command=SequenceDetail --pdb="${PDB}_Repair.pdb" --water=PREDICT --vdwDesign=1 --output-dir=.
|
Loading…
Add table
Add a link
Reference in a new issue