# $Id: GOR4.pm,v 1.0 2003/07/ 11 # # BioPerl module for Bio::Tools::Analysis::Protein::GOR4 # # Copyright Richard Adams # # You may distribute this module under the same terms as perl itself # POD documentation - main docs before the code =head1 NAME Bio::Tools::Analysis::Protein::GOR4 - a wrapper around GOR4 protein secondary structure prediction server =head1 SYNOPSIS use Bio::Tools::Analysis::Protein::GOR4; #get a Bio::Seq or Bio::PrimarySeq use Bio::PrimarySeq; $seq = Bio::PrimarySeq->new (-seq=>'IKLCVHHJHJHJHJHJHJHNLAILAKAHLIELALAL', -primary_id=>'test'); # a Bio::PrimarySeqI object my $gor4 = Bio::Tools::Analysis::Protein::GOR4->new (-seq=>$seq); $gor4->run; print $gor4->result;# #raw text to standard error =head1 DESCRIPTION A module to remotely retrieve predictions of protein secondary structure. Each residue in the protein receives a score representing the likelihood of existing in each of three different states (helix, coil or sheet), e.g., my $analysis_object = Bio::Tools::SimpleAnalysis::Protein::GOR4-> new(-seq => $seq); creates a new object $analysis_object->run; submits the query to the server and obtains raw text output Given an amino acid sequence the results can be obtained in 4 formats, determined by the argument to the result method =over 4 =item 1 The raw text of the program output my $rawdata = $analysis_object->result; =item 2 An reference to an array of hashes of scores for each state and the assigned state. my $data_ref = $analysis_object->result('parsed'); print "score for helix at residue 2 is $data_ref->[1]{'helix'}\n"; print "predicted struc at residue 2 is $data_ref->[1]{'struc}\n"; =item 3 An array of Bio::SeqFeature::Generic objects where each feature is a predicted unit of secondary structure. Only stretches of helix/sheet predictions for longer than 4 residues are defined as helices. See Bio::Tools::Analysis::Domcut.pm for examples of how to add sequence features. my @fts = $analysis_object->result(Bio::SeqFeatureI); for my $ft (@fts) { print " From ", $ft->start, " to ",$ft->end, " struc: " , ($ft->each_tag_value('type'))[0] ,"\n"; } =item 4 A Bio::Seq::Meta::Array implementing sequence. This is a Bio::Seq object that can also hold data about each residue in the sequence In this case, the sequence can be associated with a single array of GOR4 prediction scores. e.g., my $meta_sequence = $analysis_object->result('all'); print "helix scores from residues 10-20 are ", $meta_sequence->named_submeta_text("GOR4_helix",10,20), "\n"; Meta sequence names are : GOR4_helix, GOR4_sheet, GOR4_coil, GOR4_struc, representing the scores for each residue. Many methods common to all analyses are inherited from Bio::Tools::Analysis::SimpleAnalysisBase. =back =head1 SEE ALSO L, L, L, L =head1 FEEDBACK =head2 Mailing Lists User feedback is an integral part of the evolution of this and other Bioperl modules. Send your comments and suggestions preferably to one of the Bioperl mailing lists. Your participation is much appreciated. bioperl-l@bioperl.org - General discussion http://bioperl.org/wiki/Mailing_lists - About the mailing lists =head2 Support Please direct usage questions or support issues to the mailing list: I rather than to the module maintainer directly. Many experienced and reponsive experts will be able look at the problem and quickly address it. Please include a thorough description of the problem with code and data examples if at all possible. =head2 Reporting Bugs Report bugs to the Bioperl bug tracking system to help us keep track the bugs and their resolution. Bug reports can be submitted via the web: http://bugzilla.open-bio.org/ =head1 AUTHORS Richard Adams, Richard.Adams@ed.ac.uk, =head1 APPENDIX The rest of the documentation details each of the object methods. Internal methods are usually preceded with a _ =cut use strict; package Bio::Tools::Analysis::Protein::GOR4; use IO::String; use Bio::SeqIO; use HTTP::Request::Common qw(POST); use Bio::SeqFeature::Generic; use Bio::Seq::Meta::Array; use base qw(Bio::Tools::Analysis::SimpleAnalysisBase); use constant MIN_STRUC_LEN => 3; my $URL = 'http://npsa-pbil.ibcp.fr/cgi-bin/secpred_gor4.pl'; my $ANALYSIS_NAME = 'GOR4'; my $ANALYSIS_SPEC = {name => 'Gor4', type => 'Protein'}; my $INPUT_SPEC = [ {mandatory =>'true', type => 'Bio::PrimarySeqI', 'name' => 'seq', }, ]; my $RESULT_SPEC = { '' => 'bulk', # same as undef 'Bio::SeqFeatureI' => 'ARRAY of Bio::SeqFeature::Generic', raw => '[ {struc =>, helix=> ,sheet=>, coil=>}]', meta => 'Bio::Seq::Meta::Array object', }; =head2 result Name : result Usage : $job->result (...) Returns : a result created by running an analysis Args : see keys of $RESULT_SPEC The method returns a result of an executed job. If the job was terminated by an error the result may contain an error message instead of the real data. This implementation returns differently processed data depending on argument: =over 3 =item undef Returns the raw ASCII data stream but without HTML tags =item 'Bio::SeqFeatureI' The argument string defines the type of bioperl objects returned in an array. The objects are L. Feature primary tag is "2ary". Feature tags are "type" (which can be helix, sheet or coil) "method" (GOR4). =item 'parsed' Array of hash references of { helix =E, sheet =E , coil =E , struc=E}. =item 'meta' A Bio::Seq::Meta::Array object. Scores can be accessed using methods from this class. Meta sequence names are GOR4_helix, GOR4_sheet, GOR4_coil, GOR4_struc. =back =cut sub result { my ($self,$value) = @_; my @scores; my @fts; if ($value ) { #parse into basic raw form, store this as well as '_result' if (!exists($self->{'_parsed'}) ) { my $result = IO::String->new($self->{'_result'}); while (my $line = <$result>) { next unless $line =~ /^\w\s/; # or for sopma/hnn /^[A-Z]\s/ $line =~/(\w)\s+(\d+)\s+(\d+)\s+(\d+)/; # or for so push @scores, { struc => $1, helix => $2, sheet => $3, coil => $4, }; } $self->{'_parsed'} = \@scores; } if ($value eq 'Bio::SeqFeatureI') { $self->_get_2ary_coords(); for my $type (keys %{$self->{'_parsed_coords'}} ) { next if $type =~ /\w{2,}/; #if not H,C,E or T for my $loc (@{$self->{'_parsed_coords'}{$type}} ) { push @fts, Bio::SeqFeature::Generic->new (-start => $loc->{'start'}, -end => $loc->{'end'}, -source => 'GOR4', -primary => 'Region', -tag => { type => $type, method => $self->analysis_name, }); } #end of array of strucs of type } # end of all 2nd struc elements delete $self->{'_parsed_coords'}; #remove temp data return @fts; } #endif BioSeqFeature elsif ($value eq 'meta') { #1st of all make 3 or 4 arrays of scores for each type from column data my %type_scores; for my $aa (@{$self->{'_parsed'}}) { push @{$type_scores{'struc'}}, $aa->{'struc'}; push @{$type_scores{'helix'}}, $aa->{'helix'}; push @{$type_scores{'sheet'}}, $aa->{'sheet'}; push @{$type_scores{'coil'}}, $aa->{'coil'}; } ## bless if necessary ## if (!$self->seq->isa("Bio::Seq::Meta::Array")){ bless ($self->seq, "Bio::Seq::Meta::Array"); } $self->seq->isa("Bio::Seq::MetaI") || $self->throw("$self is not a Bio::Seq::MetaI"); $Bio::Seq::Meta::Array::DEFAULT_NAME = 'GOR4_struc'; ## now make meta_Sequence for my $struc_type (keys %type_scores) { my $meta_name = "GOR4". "_" . "$struc_type"; my @meta = map{$_->{$struc_type}} @{$self->{'_parsed'}}; if (grep{$_ eq $meta_name}$self->seq->meta_names ) { $self->warn ("$meta_name already exists , not overwriting!"); next; } $self->seq->named_meta($meta_name,\@meta ); } # return seq array object implementing meta sequence # return $self->seq; } else { return $self->{'_parsed'}; } } #endif ($value) #return raw result if no return fomrt stated return $self->{'_result'}; } sub _get_2ary_coords { #helper sub for result; ##extracts runs of structure > MIN_STRUC_LENresidues or less if Turn: #i.e., helical prediction for 1 residue isn't very meaningful... ## and poulates array of hashes with start/end values. ##keys of $Result are 'H' 'T' 'C' 'E'. #could be put into a secondary base class if need be my ($self) = @_; my @prot = @{$self->{'_parsed'}}; my %Result; for (my $index = 0; $index <= $#prot; $index++) { my $type = $prot[$index]{'struc'}; next unless $type =~ /[HTCE]/; my $length = 1; for (my $j = $index + 1; $j <= $#prot; $j++) { my $test = $prot[$j]; if ($test->{'struc'} eq $type) { $length++; } elsif ( $length > MIN_STRUC_LEN || ($length <= MIN_STRUC_LEN && $type eq 'T') ) { push @{$Result{$type}}, {start => $index + 1 , end => $j}; $index += $length -1; last; } else { $index += $length - 1; last; } } } $self->{'_parsed_coords'} = \%Result; #temp assignment } sub _init { my $self = shift; $self->url($URL); $self->{'_ANALYSIS_SPEC'} =$ANALYSIS_SPEC; $self->{'_INPUT_SPEC'} =$INPUT_SPEC; $self->{'_RESULT_SPEC'} =$RESULT_SPEC; $self->{'_ANALYSIS_NAME'} =$ANALYSIS_NAME; return $self; } sub _run { my $self = shift; $self->delay(1); # delay repeated calls by default by 3 sec, set delay() to change $self->sleep; $self->status('TERMINATED_BY_ERROR'); my $request = POST $self->url, Content_Type => 'form-data', Content => [title => "", notice => $self->seq->seq, ali_width => 70, ]; my $content = $self->request($request); my $text = $content->content; return unless $text; my ($next) = $text =~ /Prediction.*?=(.*?)>/; return unless $next; my $out = 'http://npsa-pbil.ibcp.fr/'.$next; my $req2 = HTTP::Request->new(GET=>$out); my $resp2 = $self->request($req2); $self->status('COMPLETED') if $resp2 ne ''; $self->{'_result'} = $resp2->content; } 1;