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remove shell scripts run with subprocess() and launch foldx directly from python

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This commit is contained in:
Tanushree Tunstall 2021-02-08 18:06:02 +00:00
parent d4a7e3b635
commit f95f2a3c93
6 changed files with 86 additions and 17 deletions
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7
foldx/test2/deprecated_shell/runPrintNetworks.sh Executable file
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@ -0,0 +1,7 @@
PDB=$1
n=$2
OUTDIR=$3
logger "Running runPrintNetworks"
cd ${OUTDIR}
foldx --command=PrintNetworks --pdb="${PDB}_Repair_${n}.pdb" --water=PREDICT --vdwDesign=1 --output-dir=${OUTDIR}