GetLastCoordinate

#This script is for printing the last coordinate of a geometry optimization and printing it into a .last file in a nerw coordinate directory
#Paul gave me this script, and I have modified it since then (lines 9, 62) so I do not know what each line does
#Please annotate what you know

#This script was used for qchemmay142015

#!/bin/bash

mkdir coordinate

if [ ! -f $1 ]
then
  echo $1 "does not exist"
  exit
fi

file=$1

endm=`grep -n "Standard Nuclear Orientation" $file`

i=0
for line in $endm
do
  if [ $i -eq 0 ]
  then
    #echo "saving: $line "
    final=$line
  fi
  if [ $i -eq 4 ]
  then
    i=-1
  fi

  let i=i+1
done

gdata=$(echo $final | tr ":" " ")
#echo "gdata: $gdata"

ends=gdata+2

alist=`grep -A 1 "NAtoms" $file`

x=0
for item in $alist
do
  if [ $x -eq 8 ]
  then
    #echo $item
    natoms=$item
  fi
  let x=x+1
done

let cstart=ends
let cend=ends+2+natoms
csplit -s $file $cstart $cend

echo "$natoms" > $file.last
awkx xx01 >> $file.last

mv $file.last coordinate

rm xx00 xx01 xx02