#!/bin/sh
#VR
#iskaido ir sutvarko dokinimo rezultatu pdb

for pdbfile in out_pdbqt/*.pdb; do
a=`grep ENDMDL $pdbfile | wc -l`
b=`expr $a - 2`
csplit -k -s -n 3 -f ${pdbfile%pdb} $pdbfile '/^ENDMDL/+1' '{'$b'}'
done

for old in out_pdbqt/*.00?; do
cat $old | grep AT > $old.x
done

for old in *.x; do cp $old `basename $old .x`.pdb; done