#!/bin/bash

echo "NSC;SMILES;pka;C1-ID;C1-charge;O1-ID;O1-charge;02-ID;O2-charge;H-ID;H-charge" > m-charges.csv; /home/bates/benzoic_acids/analyze.py m $1 >> m-charges.csv
echo "NSC;SMILES;pka;C1-ID;C1-charge;O1-ID;O1-charge;02-ID;O2-charge;H-ID;H-charge" > n-charges.csv; /home/bates/benzoic_acids/analyze.py n $1 >> n-charges.csv
echo "NSC;SMILES;pka;C1-ID;C1-charge;O1-ID;O1-charge;02-ID;O2-charge;H-ID;H-charge" > e-charges.csv; /home/bates/benzoic_acids/analyze.py e $1 >> e-charges.csv

cat /home/bates/list_ch | while read i
do
	statistics.pl -i $i | R --no-save > $i.Rlog
	mv Rplots.pdf $i.pdf
	extract_statistics.pl < $i.Rlog > $i.R
done
cd ..
