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Diffstat (limited to 'app/scripts/main.sh')
| -rwxr-xr-x | app/scripts/main.sh | 2 |
1 files changed, 2 insertions, 0 deletions
diff --git a/app/scripts/main.sh b/app/scripts/main.sh index b1c789c..7ad044c 100755 --- a/app/scripts/main.sh +++ b/app/scripts/main.sh @@ -142,6 +142,8 @@ fi if [[ $interactions == "true" ]]; then file=$(echo "$ligandPath" | cut -f 1 -d '.') python3 ./get-best.py -p $proteinPath -l "$(echo $file)_out.pdbqt" + echo "Generating SVG of Compound" + obabel $ligandPath -O compound.svg echo "Running PLIP" plip -f best.pdb -qpxy echo "Getting Dock Score" |