#! /bin/sh
#*******************************************************************************
#                                                                              *
#                                   Viewmol                                    *
#                                                                              *
#                                R E A D P D B                                 *
#                                                                              *
#                 Copyright (c) Joerg-R. Hill, December 1998                   *
#                                                                              *
#*******************************************************************************
#
# $Id: readpdb,v 1.3 1999/02/07 21:56:09 jrh Exp $
# $Log: readpdb,v $
# Revision 1.3  1999/02/07 21:56:09  jrh
# Release 2.2
#
# Revision 1.2  1998/01/26 00:49:19  jrh
# Release 2.1
#
# Revision 1.1  1996/12/10  18:46:49  jrh
# Initial revision
#
#

if [ ! -f $1 ]
then
  echo "\$error noFile $1"
  echo "\$end"
  exit 1
fi

case `uname -s` in
  IRIX*) AWK=nawk
	   ;;
  *)     AWK=awk
	   ;;
esac

$AWK 'BEGIN     {first=1;}
	/^COMPND/ {printf("$title\n%s\n", substr($0, 7, 73));}
	/^ATOM/   {if (first == 1)
		     {
		       printf("$coord 1.0\n");
		       first=0;
		     }
		     symbol=$3;
		     while (sub("[0-9]", "", symbol));
		     printf("%22.14f  %22.14f  %22.14f  %s\n", $6, $7, $8, symbol);
		    }
	/^HETATM/ {if (first == 1)
		     {
		       printf("$coord 1.0\n");
		       first=0;
		     }
		     symbol=$3;
		     while (sub("[0-9]", "", symbol));
		     printf("%22.14f  %22.14f  %22.14f  %s\n", $6, $7, $8, symbol);
		    }
      END       {printf("$end\n");}' $1
