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Revision 1.2 - (download) (as text) (annotate)
Fri Sep 2 19:44:35 2005 UTC (14 years, 3 months ago) by fangfang
Branch: MAIN
CVS Tags: HEAD
Changes since 1.1: +3 -2 lines
Added augmented PDB links generated by PASS.

$usage = "pdb2passinfo pdb \n\n";

(@ARGV >= 1) || die "Usage: $usage";
$| = 1;
my $pdbp_dir = "/Volumes/big/PDB-P";
my $pdb      = shift @ARGV;

$pdbp_dir  = (-e $pdbp_dir) ? $pdbp_dir : "/home/fangfang/public_html/PDB-P";

(-e $pdbp_dir && -r $pdbp_dir) || die "PDB-P directory '$pdbp_dir' not found or not readable.\n\n";
($pdb =~ /(\d\w{3})/) || die "Not valid PDB entry: $pdb.\n\n";

$pdb  = $1;
$pdbp = "$pdbp_dir/pdb$pdb.pass";

if (!(-e $pdbp && -e "$pdbp/done.log")) {
    print "No augmented PDB entry for $pdb.\n";
    exit;
}

if (-e "$pdbp/pdb$pdb\_asps.pdb") {
    $num = `cat $pdbp/pdb$pdb\_asps.pdb | wc -l`;
    $num =~ /(\d+)/;
    $num = $1;
    $wgt = `grep 'Active Site Points (ASPs):' $pdbp/pdb$pdb\_pass.log -A 1`;
    $wgt =~ /Weight:\s*([\d.]+)/;
    $wgt = $1;
    $augurl = "http://ci-www.uchicago.edu/~fangfang/PDB-P/pdb$pdb.pass/pdb$pdb\_pass\_rasmol.pdb";
    $gifurl = "http://ci-www.uchicago.edu/~fangfang/PDB-P/pdb$pdb.pass/pdb$pdb\_pass_all.gif";
}
print join("\t", $num, $wgt, $gifurl, $augurl) . "\n";

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