#!/bin/sh
if [ $# -ne 3 ] ; then
  echo "Usage: `basename $0` <template crd> <mol2 file> <output crd>"
  exit 1
 fi

awk -v crdin=$1 '
    BEGIN{while (getline < crdin && substr($0,1,1)=="*");
      print}
    /^@<TRIPOS>ATOM/{cpy=1;getline}
    (cpy && NF>5){x=$3;y=$4;z=$5;getline < crdin;
      printf("%10i%10i  %-10s%-8s%20.10f%20.10f%20.10f  %-5s%6i       %20.10f\n",
        $1,$2,$3,$4,x,y,z,$8,$9,$10)}
    /^@<TRIPOS>BOND/{exit}' $2 > $3
