#!/bin/perl

#perl script to filter disambig output and only print lines about
#aromatics: for use with D2O noesy

#Melanie Nelson
#5/18/99

if ($#ARGV != 0) {
   $prg_name = $0;
   $prg_name = `basename $prg_name`;
   chomp ($prg_name);
   die<<EODIE;
This script filters the output of disambig and only prints lines in which the possible
assignment in D1 is an aromatic proton. It is for use with D2O NOESY data.

disambig output format:
   ATOM 1        ATOM 2      MIN   MAX   AVG +-RMS # peak file:peak #
  13 TYR CZ     75 GLN QE2  21.36 26.32 24.02  1.47 # ASG_RESULTS:34
  67 GLN QE2    33 GLN QE2  13.59 20.77 18.13  1.98 # ASG_RESULTS:34
  67 GLN QE2    75 GLN QE2  10.47 19.00 15.28  2.03 # ASG_RESULTS:34
  13 TYR CG      8 GLY QA    9.53 10.03  9.77  0.13 # ASG_RESULTS:42


Usage: $prg_name inputfile [>outputfile]
EODIE
}


open (INFILE, $ARGV[0]) ||
	die "could not open input file, $ARGV[0]\n";

while (<INFILE>){
	$line = $_;
	chomp;
	@line = split;
	if ($line[0] eq '#'){
		print "$line";
	}
	if ($line[1] eq 'TYR' || $line[1] eq 'PHE'){
		print "$line";
	}

}