#!/usr/bin/perl -w use strict; #crappy open (MYFILE, "2hgs_d00_internal_nrg_e.dat"); our $nrgval = " "; our $chn = " "; our $count; #our $chn[$count]; our $count2; #our $chn2[$count2] our @nrg; open (NEWF, "2HGS_bio_conv-min_p.pdb"); our $toprint = " "; our $chn2 = " "; while () { chomp; # avoid \n at the end of each line if ($_ =~/ENERGY/){ for($count=1;$count<=1;$count++){ $chn = substr $_, 20, 3; $nrgval = substr $_, 35, 8; while () { chomp; # avoid \n at the end of each line our $j = 0; our $i = 0; if ($_ =~/ATOM/){ for($count2=1;$count2<=1;$count2++){ $chn2 = substr $_, 23, 3; $toprint = substr $_, 0, 65; for($chn=1;$chn<=$chn2;$chn++){ if ($chn==$chn2){ print " $toprint $nrgval \n"; } } } } } } } } close (MYFILE); close (NEWF);