#!/bin/bash

source /mnt/nfs/ex9/work/ttummino/miniconda/etc/profile.d/conda.sh
conda activate base3.7

bespoke_extract_all=$1
zinc_extract_all=$2
title=$3

echo combining extract_alls
cat $zinc_extract_all $bespoke_extract_all > extract_all_zinc_bespoke.txt

echo sorting
sort -nk22 extract_all_zinc_bespoke.txt > extract_all.sort.uniq.txt

echo making mol ids files
awk '{print $3}' $zinc_extract_all > zinc_ids
awk '{print $3}' $bespoke_extract_all | awk -F "." '{print $1}' > bespoke_ids

echo making plots
python2 /nfs/soft/dock/versions/dock37/DOCK-3.7.5.0/analysis/plots.py -i . -l "Bespoke LogAUC" --custom-title "$title" -x "% ZINC Found" -y "% Bespoke Found" --ligand-file bespoke_ids -d zinc_ids