From 6fe0c3114b33471ae640ec5887f77b2ba33cc35c Mon Sep 17 00:00:00 2001 From: Navan Chauhan Date: Sat, 3 Oct 2020 19:11:04 +0530 Subject: added title,date to pdf --- app/scripts/main.sh | 2 ++ 1 file changed, 2 insertions(+) (limited to 'app/scripts/main.sh') 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" -- cgit v1.2.3