Tanushree Tunstall
4d686e2933
* command-line args * creating necessary dirs automagically * code cleanup, syntax errors, etc etc
7 lines
185 B
Bash
Executable file
7 lines
185 B
Bash
Executable file
PDB=$1
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n=$2
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OUTDIR=$3
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logger "Running runPrintNetworks"
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cd ${OUTDIR}
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foldx --command=PrintNetworks --pdb="${PDB}_Repair_${n}.pdb" --water=PREDICT --vdwDesign=1 --output-dir=${OUTDIR}
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