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#!/usr/bin/perl
print "REMARK Usage: ./renumber-loop.pl [input file name] \n";
print "REMARK Expecting an input file with a single residue, with chain ID A, and another single residue with chain ID B\n";
#$oldResNum = "ZZZZ";
#$currentResNum = "XXXX";
#$renumberedResNum = $ARGV[1]-1;
$maxResidueNumber = 9999;
my @nArray = (1..2000);
for $n (@nArray) {
#print "REMARK working on $n \n";
open FILE, $ARGV[0] or die $!;
open OUTFILE, ">base-pair.$n.pdb" or die $!;
while (<FILE>) {
if ((substr($_,0,4) eq "ATOM") || (substr($_,0,6) eq "HETATM")) {
$currentChain = substr($_,21,1);
if ($currentChain eq "A"){
print ">A< >$currentChain< > $_ ";
printf OUTFILE "%s%04d%s",substr($_,0,22), $n, substr($_,26 );
} elsif ($currentChain eq "B"){
print "B $currentChain> $_ ";
printf OUTFILE "%s%04d%s",substr($_,0,22), $maxResidueNumber-$n, substr($_,26 );
} else {
print "Was expecting chain ID either A or B\n";
exit(1);
}
}
}
close OUTFILE;
close FILE;
}
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