ligs 1j1b 1j1c 1o9u 1pyx 1q3d 1q3w 1q4l 1q41 1q5k 1r0e 1uv5 2o5k 2ow3 3du8 3f7z 3f88 3gb2 3i4b 3l1s 2jld 1gng 1h8f 1i09
AMP_PNP 2.81 3.28 2.15 2.50 2.62 4.56 3.10 3.04 4.21 3.24 3.59 2.40 3.64 4.64 3.43 3.86 2.06 2.13 2.64 2.88 4.13 3.26 2.74
ADP 1.21 1.61 2.83 0.87 1.65 3.80 2.91 1.93 3.70 2.81 2.15 2.32 1.49 1.44 1.31 2.71 1.62 1.23 2.06 2.09 3.71 2.85 2.04
ADZ 3.56 3.59 3.52 0.89 3.40 1.82 4.08 3.42 0.88 3.93 4.15 3.88 4.90 1.93 4.05 1.08 3.33 1.00 1.02 3.87 3.55 3.42 1.80
####
ligs 1j1b 1j1c 1o9u 1pyx 1q3d 1q3w 1q4l 1q41 1q5k 1r0e 1uv5 2o5k 2ow3 3du8 3f7z 3f88 3gb2 3i4b 3l1s 2jld 1gng 1h8f 1i09
AMP_PNP 3.739 2.796 3.314 1.962 2.024 4.109 3.251 2.917 2.738 2.561 4.219 2.313 3.377 3.352 2.996 4.885 1.825 2.282 4.033 3.288 4.488 2.426 2.409
ADP 2.317 3.333 3.125 2.514 2.847 3.94 3.542 1.908 3.977 2.062 2.297 2.599 2.013 2.759 3.282 3.181 1.59 2.21 3.14 2.239 3.945 3.29 1.861
ADZ 3.733 3.848 4.219 0.858 5.187 4.344 4.586 3.391 0.919 4.354 4.247 4.192 5.043 1.843 1.971 1.081 3.386 1.003 0.98 4.307 3.536 4.049 2.404
####
#!/usr/bin/perl
use warnings;
use strict;
my $lig;my $a;my $b;my $c;my $d;my $e;my $f;my $g;my $h;my $i;my $l;my $m;my $n;my $o;my $p;my $q;my $r;my $s;my $t;my $u;my $v;my $w;my $x;my $y;
my $lig2;my $a2;my $b2;my $c2;my $d2;my $e2;my $f2;my $g2;my $h2;my $i2;my $l2;my $m2;my $n2;my $o2;my $p2;my $q2;my $r2;my $s2;my $t2;my $u2;my $v2;my $w2;my $x2;my $y2;
my $a3;my $b3;my $c3;my $d3;my $e3;my $f3;my $g3;my $h3;my $i3;my $l3;my $m3;my $n3;my $o3;my $p3;my $q3;my $r3;my $s3;my $t3;my $u3;my $v3;my $w3;my $x3;my $y3;
my @array1;my @array2;my $reader="";my $reader2="";
my $file1=$ARGV[0]|| die "type file1 and file2 and output";
my $file2=$ARGV[1];
my $file3=$ARGV[2];
open my $out, ">$file3";
open my $in,"<$file1";
while ($reader=<$in>){push @array1, $reader;}
close $in;
open my $in2,"<$file2";
while ($reader2=<$in2>){push @array2, $reader2;}
close $in2;
print $out $array1[0];
foreach my $element(@array1){
if ($element ne $array1[0]){
if ($element=~ /^(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\n/){
$lig=$1;$a=$2;$b=$3;$c=$4;$d=$5;$e=$6;$f=$7;$g=$8;$h=$9;$i=$10;$l=$11;$m=$12;$n=$13;$o=$14;$p=$15;$q=$16;$r=$17;$s=$18;$t=$19;$u=$20;$v=$21;$w=$22;$x=$23;$y=$24;
foreach my $element2(@array2){
if ($element2 ne $array2[0]){
if ($element2=~ /^(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\t(.*?)\n/){
$lig2=$1;$a2=$2;$b2=$3;$c2=$4;$d2=$5;$e2=$6;$f2=$7;$g2=$8;$h2=$9;$i2=$10;$l2=$11;$m2=$12;$n2=$13;$o2=$14;$p2=$15;$q2=$16;$r2=$17;$s2=$18;$t2=$19;$u2=$20;$v2=$21;$w2=$22;$x2=$23;$y2=$24;
if ($lig eq $lig2){
$a3=$a-$a2;$b3=$b-$b2;$c3=$c-$c2;$d3=$d-$d2;$e3=$e-$e2;$f3=$f-$f2;$g3=$g-$g2;$h3=$h-$h2;$i3=$i-$i2;$l3=$l-$l2;$m3=$m-$m2;$n3=$n-$n2;$o3=$o-$o2;$p3=$p-$p2;$q3=$q-$q2;$r3=$r-$r2;$s3=$s-$s2;$t3=$t-$t2;$u3=$u-$u2;$v3=$v-$v2;$w3=$w-$w2;$x3=$x-$x2;$y3=$y-$y2;
print $out "$lig\t$a3 $b3 $c3 $d3 $e3 $f3 $g3 $h3 $i3 $l3 $m3 $n3 $o3 $p3 $q3 $r3 $s3 $t3 $u3 $v3 $w3 $x3 $y3\n";
}}}}}}}
close $out;