If you need to parse, write, change and manipulate PDB files you should probably make an effort and consider bioperl. This code is untested and positively wrong, (the docs of BIO::Structure are starting to bite me like a goliath tiger fish), but you can start playing with this..
use strict; use warnings; use Bio::Structure::IO; #use Data::Dumper; my $in = Bio::Structure::IO->new(-file => "myfile.pdb", -format => 'PDB'); while ( my $struc = $in->next_structure() ){ print "Structure: ", $struc->id; for my $model ($struc->get_models){ print "model: ", $model->id; for my $chain ($struc->get_chains) { if($chain->id eq "A"){ print "we have an A!"; foreach my $res ($struc->get_residues($chain)){ print "Yeah, Honestly, I don't know what I'm doing here"; foreach my $atom ($struc->get_atoms($res)){ print "This is the ATOM ",$atom->id;} } } last; } last; }}
mmmh, or maybe use Chemistry::File::PDB?
In reply to Re: How to select specific lines from a file
by pvaldes
in thread How to select specific lines from a file
by Anonymous Monk
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