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#$Id$ |
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#----------------------------------------------------------------------------- |
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# PACKAGE : OddCodes.pm |
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# PURPOSE : To write amino acid sequences in alternative alphabets |
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# AUTHOR : Derek Gatherer (D.Gatherer@organon.nhe.akzonobel.nl) |
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# SOURCE : |
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# CREATED : 8th July 2000 |
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# MODIFIED : |
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# DISCLAIMER : I am employed in the pharmaceutical industry but my |
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# : employers do not endorse or sponsor this module |
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# : in any way whatsoever. The above email address is |
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# : given purely for the purpose of easy communication |
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# : with the author, and does not imply any connection |
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# : between my employers and anything written below. |
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# LICENCE : You may distribute this module under the same terms |
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# : as the rest of BioPerl. |
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#---------------------------------------------------------------------------- |
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=head1 NAME |
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Bio::Tools::OddCodes - Object holding alternative alphabet coding for |
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one protein sequence |
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=head1 SYNOPSIS |
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# Take a sequence object from eg, an inputstream, and creates an |
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# object for the purposes of rewriting that sequence in another |
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# alphabet. These are abbreviated amino acid sequence alphabets, |
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# designed to simplify the statistical aspects of analysing protein |
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# sequences, by reducing the combinatorial explosion of the |
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# 20-letter alphabet. These abbreviated alphabets range in size |
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# from 2 to 8. |
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# Creating the OddCodes object, eg: |
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my $inputstream = Bio::SeqIO->new( '-file' => "seqfile", |
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'-format' => 'Fasta'); |
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my $seqobj = $inputstream->next_seq(); |
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my $oddcode_obj = Bio::Tools::Oddcodes->new(-seq => $seqobj); |
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# or: |
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my $seqobj = Bio::PrimarySeq->new |
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(-seq=>'[cut and paste a sequence here]', |
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-alphabet => 'protein', |
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-id => 'test'); |
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my $oddcode_obj = Bio::Tools::OddCodes->new(-seq => $seqobj); |
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# do the alternative coding, returning the answer as a reference to |
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# a string |
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my $output = $oddcode_obj->structural(); |
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my $output = $oddcode_obj->chemical(); |
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my $output = $oddcode_obj->functional(); |
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my $output = $oddcode_obj->charge(); |
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my $output = $oddcode_obj->hydrophobic(); |
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my $output = $oddcode_obj->Dayhoff(); |
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my $output = $oddcode_obj->Sneath(); |
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my $output = $oddcode_obj->Stanfel(); |
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# display sequence in new form, eg: |
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my $new_coding = $$output; |
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print "\n$new_coding"; |
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=head1 DESCRIPTION |
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Bio::Tools::Oddcodes is a welterweight object for rewriting a protein |
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sequence in an alternative alphabet. Eight of these are provided, ranging |
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from the the 2-letter hydrophobic alphabet, to the 8-letter chemical |
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alphabet. These are useful for the statistical analysis of protein |
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sequences since they can partially avoid the combinatorial explosion |
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produced by the full 20-letter alphabet (eg. 400 dimers, 8000 trimers |
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etc.) |
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The objects will print out a warning if the input sequence is not a |
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protein. If you know what you are doing, you can silence the warning |
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by setting verbose() to a negative value. |
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See SYNOPSIS above for object creation code. |
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=head1 REFERENCES |
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Stanfel LE (1996) A new approach to clustering the amino acids. J. theor. |
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Biol. 183, 195-205. |
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Karlin S, Ost F and Blaisdell BE (1989) Patterns in DNA and amino acid |
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sequences and their statistical significance. Chapter 6 of: Mathematical |
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Methods for DNA Sequences. Waterman MS (ed.) CRC Press, Boca Raton , FL. |
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=head1 FEEDBACK |
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=head2 Mailing Lists |
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User feedback is an integral part of the evolution of this and other |
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Bioperl modules. Send your comments and suggestions preferably to one |
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of the Bioperl mailing lists. Your participation is much appreciated. |
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bioperl-l@bioperl.org - General discussion |
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http://bioperl.org/wiki/Mailing_lists - About the mailing lists |
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=head2 Support |
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Please direct usage questions or support issues to the mailing list: |
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I |
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rather than to the module maintainer directly. Many experienced and |
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reponsive experts will be able look at the problem and quickly |
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address it. Please include a thorough description of the problem |
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with code and data examples if at all possible. |
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=head2 Reporting Bugs |
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Report bugs to the Bioperl bug tracking system to help us keep track |
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the bugs and their resolution. Bug reports can be submitted via the |
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web: |
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https://github.com/bioperl/bioperl-live/issues |
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=head1 AUTHOR |
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Derek Gatherer |
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=head1 APPENDIX |
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The rest of the documentation details each of the object methods. |
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Internal methods are usually preceded with a _ |
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=cut |
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package Bio::Tools::OddCodes; |
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use strict; |
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use base qw(Bio::Root::Root); |
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sub new |
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{ |
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my($class,@args) = @_; |
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my $self = $class->SUPER::new(@args); |
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my ($seqobj) = $self->_rearrange([qw(SEQ)],@args); |
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if((! defined($seqobj)) && @args && ref($args[0])) { |
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# parameter not passed as named parameter? |
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$seqobj = $args[0]; |
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} |
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unless ($seqobj->isa("Bio::PrimarySeqI")) |
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{ |
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$self->throw("Bio::Tools::OddCodes only works on PrimarySeqI objects"); |
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} |
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$self->{'_seqref'} = $seqobj; |
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return $self; |
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} |
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=head2 structural |
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Title : structural |
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Usage : $output = $oddcode_obj->structural(); |
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Function: turns amino acid sequence into 3-letter structural alphabet |
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: A (ambivalent), E (external), I (internal) |
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Example : a sequence ACDEFGH will become AAEEIAE |
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Returns : Reference to the new sequence string |
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Args : none |
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=cut |
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sub structural() |
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{ |
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my $self = $_[0]; |
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my $seqstring = &_pullseq($self); # see _pullseq() below |
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# now the real business |
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$seqstring =~ tr/[ACGPSTWY]/1/; |
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$seqstring =~ tr/[RNDQEHK]/2/; |
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$seqstring =~ tr/[ILMFV]/3/; |
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$seqstring =~ tr/1/A/; |
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$seqstring =~ tr/2/E/; |
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$seqstring =~ tr/3/I/; |
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return \$seqstring; |
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# and that's that one |
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} |
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=head2 functional |
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Title : functional |
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Usage : $output = $oddcode_obj->functional(); |
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Function: turns amino acid sequence into 4-letter functional alphabet |
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: A (acidic), C (basic), H (hydrophobic), P (polar) |
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Example : a sequence ACDEFGH will become HPAAHHC |
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Returns : Reference to the new sequence string |
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Args : none |
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=cut |
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sub functional() |
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{ |
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my $self = $_[0]; |
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my $seqstring = &_pullseq($self); |
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# now the real business |
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$seqstring =~ tr/[DE]/1/; |
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$seqstring =~ tr/[HKR]/2/; |
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$seqstring =~ tr/[AFILMPVW]/3/; |
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$seqstring =~ tr/[CGNQSTY]/4/; |
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$seqstring =~ tr/1/A/; |
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$seqstring =~ tr/2/C/; |
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$seqstring =~ tr/3/H/; |
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$seqstring =~ tr/4/P/; |
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return \$seqstring; |
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# and that's that one |
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} |
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224
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=head2 hydrophobic |
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Title : hydrophobic |
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Usage : $output = $oddcode_obj->hydrophobic(); |
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|
|
Function: turns amino acid sequence into 2-letter hydrophobicity alphabet |
229
|
|
|
|
|
|
|
: O (hydrophobic), I (hydrophilic) |
230
|
|
|
|
|
|
|
Example : a sequence ACDEFGH will become OIIIOII |
231
|
|
|
|
|
|
|
Returns : Reference to the new sequence string |
232
|
|
|
|
|
|
|
Args : none |
233
|
|
|
|
|
|
|
|
234
|
|
|
|
|
|
|
=cut |
235
|
|
|
|
|
|
|
|
236
|
|
|
|
|
|
|
sub hydrophobic() |
237
|
|
|
|
|
|
|
{ |
238
|
1
|
|
|
1
|
1
|
2
|
my $self = $_[0]; |
239
|
1
|
|
|
|
|
2
|
my $seqstring = &_pullseq($self); |
240
|
|
|
|
|
|
|
|
241
|
|
|
|
|
|
|
# now the real business |
242
|
|
|
|
|
|
|
|
243
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[AFILMPVW]/1/; |
244
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[CDEGHKNQRSTY]/2/; |
245
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/1/I/; |
246
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/2/O/; |
247
|
|
|
|
|
|
|
|
248
|
1
|
|
|
|
|
4
|
return \$seqstring; |
249
|
|
|
|
|
|
|
|
250
|
|
|
|
|
|
|
# and that's that one |
251
|
|
|
|
|
|
|
} |
252
|
|
|
|
|
|
|
|
253
|
|
|
|
|
|
|
=head2 Dayhoff |
254
|
|
|
|
|
|
|
|
255
|
|
|
|
|
|
|
Title : Dayhoff |
256
|
|
|
|
|
|
|
Usage : $output = $oddcode_obj->Dayhoff(); |
257
|
|
|
|
|
|
|
Function: turns amino acid sequence into 6-letter Dayhoff alphabet |
258
|
|
|
|
|
|
|
Example : a sequence ACDEFGH will become CADDGCE |
259
|
|
|
|
|
|
|
: A (=C), C (=AGPST), D (=DENQ), |
260
|
|
|
|
|
|
|
: E (=HKR), F (=ILMV), G (=FWY) |
261
|
|
|
|
|
|
|
Returns : Reference to the new sequence string |
262
|
|
|
|
|
|
|
Args : none |
263
|
|
|
|
|
|
|
|
264
|
|
|
|
|
|
|
=cut |
265
|
|
|
|
|
|
|
|
266
|
|
|
|
|
|
|
sub Dayhoff() |
267
|
|
|
|
|
|
|
{ |
268
|
1
|
|
|
1
|
1
|
2
|
my $self = $_[0]; |
269
|
1
|
|
|
|
|
2
|
my $seqstring = &_pullseq($self); |
270
|
|
|
|
|
|
|
|
271
|
|
|
|
|
|
|
# now the real business |
272
|
|
|
|
|
|
|
|
273
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[C]/1/; |
274
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[AGPST]/2/; |
275
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[DENQ]/3/; |
276
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[HKR]/4/; |
277
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[ILMV]/5/; |
278
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[FWY]/6/; |
279
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/1/A/; |
280
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/2/C/; |
281
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/3/D/; |
282
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/4/E/; |
283
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/5/F/; |
284
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/6/G/; |
285
|
|
|
|
|
|
|
|
286
|
1
|
|
|
|
|
4
|
return \$seqstring; |
287
|
|
|
|
|
|
|
|
288
|
|
|
|
|
|
|
# and that's that one |
289
|
|
|
|
|
|
|
} |
290
|
|
|
|
|
|
|
|
291
|
|
|
|
|
|
|
=head2 Sneath |
292
|
|
|
|
|
|
|
|
293
|
|
|
|
|
|
|
Title : Sneath |
294
|
|
|
|
|
|
|
Usage : $output = $oddcode_obj->Sneath(); |
295
|
|
|
|
|
|
|
Function: turns amino acid sequence into 7-letter Sneath alphabet |
296
|
|
|
|
|
|
|
Example : a sequence ACDEFGH will become CEFFHCF |
297
|
|
|
|
|
|
|
: A (=ILV), C (=AGP), D (=MNQ), E (=CST), |
298
|
|
|
|
|
|
|
: F (=DE), G (=KR), H (=FHWY) |
299
|
|
|
|
|
|
|
Returns : Reference to the new sequence string |
300
|
|
|
|
|
|
|
Args : none |
301
|
|
|
|
|
|
|
|
302
|
|
|
|
|
|
|
=cut |
303
|
|
|
|
|
|
|
|
304
|
|
|
|
|
|
|
sub Sneath() |
305
|
|
|
|
|
|
|
{ |
306
|
1
|
|
|
1
|
1
|
1
|
my $self = $_[0]; |
307
|
1
|
|
|
|
|
2
|
my $seqstring = &_pullseq($self); |
308
|
|
|
|
|
|
|
|
309
|
|
|
|
|
|
|
# now the real business |
310
|
|
|
|
|
|
|
|
311
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[ILV]/1/; |
312
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[AGP]/2/; |
313
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[MNQ]/3/; |
314
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[CST]/4/; |
315
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[DE]/5/; |
316
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[KR]/6/; |
317
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[FHWY]/7/; |
318
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/1/A/; |
319
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/2/C/; |
320
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/3/D/; |
321
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/4/E/; |
322
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/5/F/; |
323
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/6/G/; |
324
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/7/H/; |
325
|
|
|
|
|
|
|
|
326
|
1
|
|
|
|
|
4
|
return \$seqstring; |
327
|
|
|
|
|
|
|
|
328
|
|
|
|
|
|
|
# and that's that one |
329
|
|
|
|
|
|
|
} |
330
|
|
|
|
|
|
|
|
331
|
|
|
|
|
|
|
=head2 Stanfel |
332
|
|
|
|
|
|
|
|
333
|
|
|
|
|
|
|
Title : Stanfel |
334
|
|
|
|
|
|
|
Usage : $output = $oddcode_obj->Stanfel(); |
335
|
|
|
|
|
|
|
Function: turns amino acid sequence into 4-letter Stanfel alphabet |
336
|
|
|
|
|
|
|
Example : a sequence ACDEFGH will become AACCDAE |
337
|
|
|
|
|
|
|
: A (=ACGILMPSTV), C (=DENQ), D (=FWY), E (=HKR) |
338
|
|
|
|
|
|
|
Returns : Reference to the new sequence string |
339
|
|
|
|
|
|
|
Args : none |
340
|
|
|
|
|
|
|
|
341
|
|
|
|
|
|
|
=cut |
342
|
|
|
|
|
|
|
|
343
|
|
|
|
|
|
|
sub Stanfel() |
344
|
|
|
|
|
|
|
{ |
345
|
1
|
|
|
1
|
1
|
2
|
my $self = $_[0]; |
346
|
1
|
|
|
|
|
9
|
my $seqstring = &_pullseq($self); |
347
|
|
|
|
|
|
|
|
348
|
|
|
|
|
|
|
# now the real business |
349
|
|
|
|
|
|
|
|
350
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[ACGILMPSTV]/1/; |
351
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[DENQ]/2/; |
352
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[FWY]/3/; |
353
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[HKR]/4/; |
354
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/1/A/; |
355
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/2/C/; |
356
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/3/D/; |
357
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/4/E/; |
358
|
|
|
|
|
|
|
|
359
|
1
|
|
|
|
|
3
|
return \$seqstring; |
360
|
|
|
|
|
|
|
|
361
|
|
|
|
|
|
|
# and that's that one |
362
|
|
|
|
|
|
|
} |
363
|
|
|
|
|
|
|
|
364
|
|
|
|
|
|
|
=head2 chemical |
365
|
|
|
|
|
|
|
|
366
|
|
|
|
|
|
|
Title : chemical |
367
|
|
|
|
|
|
|
Usage : $output = $oddcode_obj->chemical(); |
368
|
|
|
|
|
|
|
Function: turns amino acid sequence into 8-letter chemical alphabet |
369
|
|
|
|
|
|
|
: A (acidic), L (aliphatic), M (amide), R (aromatic) |
370
|
|
|
|
|
|
|
: C (basic), H (hydroxyl), I (imino), S (sulphur) |
371
|
|
|
|
|
|
|
Example : a sequence ACDEFGH will become LSAARAC |
372
|
|
|
|
|
|
|
Returns : Reference to the new sequence string |
373
|
|
|
|
|
|
|
Args : none |
374
|
|
|
|
|
|
|
|
375
|
|
|
|
|
|
|
=cut |
376
|
|
|
|
|
|
|
|
377
|
|
|
|
|
|
|
sub chemical() |
378
|
|
|
|
|
|
|
{ |
379
|
1
|
|
|
1
|
1
|
1
|
my $self = $_[0]; |
380
|
1
|
|
|
|
|
2
|
my $seqstring = &_pullseq($self); |
381
|
|
|
|
|
|
|
|
382
|
|
|
|
|
|
|
# now the real business |
383
|
|
|
|
|
|
|
|
384
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[DE]/1/; |
385
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[AGILV]/2/; |
386
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[NQ]/3/; |
387
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[FWY]/4/; |
388
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[RHK]/5/; |
389
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[ST]/6/; |
390
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/P/7/; |
391
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[CM]/8/; |
392
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/1/A/; |
393
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/2/L/; |
394
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/3/M/; |
395
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/4/R/; |
396
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/5/C/; |
397
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/6/H/; |
398
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/7/I/; |
399
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/8/S/; |
400
|
|
|
|
|
|
|
|
401
|
1
|
|
|
|
|
3
|
return \$seqstring; |
402
|
|
|
|
|
|
|
|
403
|
|
|
|
|
|
|
# and that's that one |
404
|
|
|
|
|
|
|
} |
405
|
|
|
|
|
|
|
|
406
|
|
|
|
|
|
|
=head2 charge |
407
|
|
|
|
|
|
|
|
408
|
|
|
|
|
|
|
Title : charge |
409
|
|
|
|
|
|
|
Usage : $output = $oddcode_obj->charge(); |
410
|
|
|
|
|
|
|
Function: turns amino acid sequence into 3-letter charge alphabet |
411
|
|
|
|
|
|
|
Example : a sequence ACDEFGH will become NNAANNC |
412
|
|
|
|
|
|
|
: A (negative; NOT anode), C (positive; NOT cathode), N (neutral) |
413
|
|
|
|
|
|
|
Returns : Reference to the new sequence string |
414
|
|
|
|
|
|
|
Args : none |
415
|
|
|
|
|
|
|
|
416
|
|
|
|
|
|
|
=cut |
417
|
|
|
|
|
|
|
|
418
|
|
|
|
|
|
|
sub charge() |
419
|
|
|
|
|
|
|
{ |
420
|
1
|
|
|
1
|
1
|
2
|
my $self = $_[0]; |
421
|
1
|
|
|
|
|
2
|
my $seqstring = &_pullseq($self); |
422
|
|
|
|
|
|
|
|
423
|
|
|
|
|
|
|
# now the real business |
424
|
|
|
|
|
|
|
|
425
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[DE]/1/; |
426
|
1
|
|
|
|
|
2
|
$seqstring =~ tr/[HKR]/2/; |
427
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/[ACFGILMNPQSTVWY]/3/; |
428
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/1/A/; |
429
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/2/C/; |
430
|
1
|
|
|
|
|
1
|
$seqstring =~ tr/3/N/; |
431
|
|
|
|
|
|
|
|
432
|
1
|
|
|
|
|
3
|
return \$seqstring; |
433
|
|
|
|
|
|
|
|
434
|
|
|
|
|
|
|
# and that's that one |
435
|
|
|
|
|
|
|
} |
436
|
|
|
|
|
|
|
|
437
|
|
|
|
|
|
|
# _pullseq is called within each of the subroutines |
438
|
|
|
|
|
|
|
# it just checks a few things and returns the sequence |
439
|
|
|
|
|
|
|
|
440
|
|
|
|
|
|
|
sub _pullseq |
441
|
|
|
|
|
|
|
{ |
442
|
8
|
|
|
8
|
|
7
|
my $self = $_[0]; |
443
|
|
|
|
|
|
|
|
444
|
8
|
|
|
|
|
9
|
my $seqobj = $self->{'_seqref'}; |
445
|
|
|
|
|
|
|
|
446
|
8
|
50
|
|
|
|
33
|
unless ($seqobj->isa("Bio::PrimarySeqI")) |
447
|
|
|
|
|
|
|
{ |
448
|
0
|
|
|
|
|
0
|
$self->throw("die, OddCodes works only on PrimarySeqI objects\n"); |
449
|
|
|
|
|
|
|
} |
450
|
8
|
50
|
33
|
|
|
15
|
$self->warn("\tAll OddCode alphabets need a protein sequence,\n". |
451
|
|
|
|
|
|
|
"\tbut BioPerl thinks this is not: [". $seqobj->id. "]") |
452
|
|
|
|
|
|
|
unless $seqobj->alphabet eq 'protein' or $self->verbose < 0;; |
453
|
|
|
|
|
|
|
|
454
|
8
|
|
|
|
|
12
|
my $seqstring = uc $seqobj->seq(); |
455
|
|
|
|
|
|
|
|
456
|
8
|
50
|
|
|
|
13
|
if(length($seqstring)<1) |
457
|
|
|
|
|
|
|
{ |
458
|
0
|
|
|
|
|
0
|
$self->throw("$seqstring: die, sequence has zero length\n"); |
459
|
|
|
|
|
|
|
} |
460
|
8
|
|
|
|
|
11
|
return $seqstring; |
461
|
|
|
|
|
|
|
} |
462
|
|
|
|
|
|
|
|
463
|
|
|
|
|
|
|
1; |