-1

This is the code that's giving me problems. The error is showing up as a syntactical one, but I can't figure out where or what it is? It says the error is in the 'while open (FILE , $array[$i])' statement , but I can't see what's wrong .

    #! /usr/bin/perl -w
    $splitpdb_version = '0.01' ;
    use File::Basename;


    $true = 1 ;
    $false = 0 ;

    use Getopt::Std ;

    $opt_h = 0 ;
    $opt_s = 0 ;
    $i = 0;
    getopts ('hs') ;

    $help = $opt_h ;
    $strip = $opt_s ;

    @array = <top8000_fullProteins_meso/*.pdb>

    while open (FILE, $array[$i])
    {

    $pdbfile = $array[$i] ;
    $string = "$array[$i]" ;
    $filename = fileparse($string);
    if (! $pdbfile || $help) {
      print STDERR "\n";
     print STDERR "Usage: \"splitpdb [-hs] pdbfile.pdb\"\n\n";
     if (! $help) {
      exit ;
      } 
     }

     if (! $pdbfile) {
     print "-h  flag gets this help message\n" ;
     print "-s  flag strips header lines\n" ;
     exit ;
     }

     open (PDBFILE, $pdbfile) or die "Could not open file \"$pdbfile\"" ;

     %chains = () ;
    @header = () ;
    $header_done = $false ;
    $lastchain = $false ;
    $atoms = [] ;

    while () {

    $atom = <PDBFILE> ;

    if (! $atom) {
    if ($lastchain) {
    $chains{$chain} = $atoms ;
    last;
    }
    }

    if (($atom =~ /^ATOM/i) | ($atom =~ /^HETATM/i)) {

    $header_done = $true ;

    $chain = substr $atom, 21, 1 ;

    if (! $lastchain) {
    $lastchain = $chain ;
    }

    if (lc($chain) eq lc($lastchain)) {
    push @{$atoms}, $atom ;
    } else {
    $chains{$lastchain} = $atoms ;
    $atoms = [] ;
    $lastchain = $chain ;
    push @{$atoms}, $atom ;
    }

    } else {
    if (! $header_done) {
    push @header, $atom ;
    }
    }

    } 

    close (PDBFILE);

    $chainno = 0 ;

    foreach $chain (keys %chains) {

    $chainno++ ;

    open (PDBOUT, ">$filename$chain$chainno.pdb") ;

    @atoms = @{$chains{$chain}} ;

    $lineno = 0 ;
    $atomno = 0 ;

    if (! $strip) {
    foreach $line (@header) {
    print PDBOUT $line ;
    }
     }


    while ($atoms[$lineno]) {
    if (($atoms[$lineno] =~ /^ATOM/i) | ($atoms[$lineno] =~ /^HETATM/i)) {
    $atomno++;
    $atomnostr = sprintf "%4d", $atomno;
    $atoms[$lineno] =~ s/^(.{7}).{4}/$1$atomnostr/ ;
    }
    print PDBOUT $atoms[$lineno] ;
    $lineno++;
    }

    close PDBOUT ;
    }

    printf ("There were %d chains.\n\n", (scalar keys %chains));
    $i++;
    };
4

1 回答 1

2

第 19 行末尾缺少一个分号。如上所述,use strict可能会发现其他错误,但缺少分号可能是您收到语法错误的原因。

于 2013-06-28T09:30:51.603 回答