#! /bin/awk -f

# Author: Zygmunt Flisak
# Added to Database: 31/01/05 

/[^:alnum:]/ 	{ 
		freeze=1; unfreeze=32;
		if (NR>freeze && NR<=unfreeze)
			{ print  "x" a+1, "= ", $2; print "y" a+1, "= ", $3; print "z" a+1, "= ", $4 }
			else 
				{ print "x" a+1, "= ", $2, "F"; print "y" a+1, "= ", $3, "F"; print "z" a+1, "= ", $4, "F" } 
		a=a+1 
		} 


# Rewrites cartesian coordinates of atoms in a single column, e.g. 
# x1=0.0 F
# y1=0.0 F 
# Marks coordinates of atoms between 'freeze' and 'unfreeze' as F (frozen)
# ZF, Feb/06/04