| Summary | Included libraries | Package variables | Synopsis | Description | General documentation | Methods |
# build a primary nucleic acid or protein sequence object somehow
# then build a statistics object from the sequence object
$seqobj = Bio::PrimarySeq->new(-seq=>'ACTGTGGCGTCAACTG',
-alphabet=>'dna',
-id=>'test');
$seq_stats = Bio::Tools::SeqStats->new(-seq=>$seqobj);
# obtain a hash of counts of each type of monomer
# (ie amino or nucleic acid)
print "\nMonomer counts using statistics object\n";
$seq_stats = Bio::Tools::SeqStats->new(-seq=>$seqobj);
$hash_ref = $seq_stats->count_monomers(); # eg for DNA sequence
foreach $base (sort keys %$hash_ref) {
print "Number of bases of type ", $base, "= ", %$hash_ref->{$base},"\n";
}
# or obtain the count directly without creating a new statistics object
print "\nMonomer counts without statistics object\n";
$hash_ref = Bio::Tools::SeqStats->count_monomers($seqobj);
foreach $base (sort keys %$hash_ref) {
print "Number of bases of type ", $base, "= ", %$hash_ref->{$base},"\n";
}
# obtain hash of counts of each type of codon in a nucleic acid sequence
print "\nCodon counts using statistics object\n";
$hash_ref = $seq_stats-> count_codons(); # for nucleic acid sequence
foreach $base (sort keys %$hash_ref) {
print "Number of codons of type ", $base, "= ", %$hash_ref->{$base},"\n";
}
# or
print "\nCodon counts without statistics object\n";
$hash_ref = Bio::Tools::SeqStats->count_codons($seqobj);
foreach $base (sort keys %$hash_ref) {
print "Number of codons of type ", $base, "= ", %$hash_ref->{$base},"\n";
}
# Obtain the molecular weight of a sequence. Since the sequence may contain
# ambiguous monomers, the molecular weight is returned as a (reference to) a
# two element array containing greatest lower bound (GLB) and least upper bound
# (LUB) of the molecular weight
$weight = $seq_stats->get_mol_wt();
print "\nMolecular weight (using statistics object) of sequence ", $seqobj->id(),
" is between ", $$weight[0], " and " ,
$$weight[1], "\n";
# or
$weight = Bio::Tools::SeqStats->get_mol_wt($seqobj);
print "\nMolecular weight (without statistics object) of sequence ", $seqobj->id(),
" is between ", $$weight[0], " and " ,
$$weight[1], "\n";
$weight = Bio::Tools::SeqStats->get_mol_wt($seqobj);Alternately, if several computations will be required on a given
$seq_stats = Bio::Tools::SeqStats->new($seqobj); $monomers = $seq_stats->count_monomers(); $codons = $seq_stats->count_codons(); $weight = $seq_stats->get_mol_wt();As currently implemented the object can return the following values from a sequence:
| BEGIN | Code | |
| new | No description | Code |
| count_monomers | Description | Code |
| get_mol_wt | Description | Code |
| count_codons | Description | Code |
| _is_alphabet_strict | Description | Code |
| _print_data | Description | Code |
| count_monomers | code | next | Top |
Title : count_monomers
Usage : $rcount = $seq_stats->count_monomers();
or $rcount = $seq_stats->Bio::Tools::SeqStats->($seqobj);
Function: Counts the number of each type of monomer (amino acid or
base) in the sequence.
Example :
Returns : Reference to a hash in which keys are letters of the
genetic alphabet used and values are number of occurrences
of the letter in the sequence.
Args : None or reference to sequence object
Throws : Throws an exception if type of sequence is unknown (ie amino
or nucleic)or if unknown letter in alphabet. Ambiguous
elements are allowed. |
| get_mol_wt | code | prev | next | Top |
Title : get_mol_wt
Usage : $wt = $seqobj->get_mol_wt() or
$wt = Bio::Tools::SeqStats ->get_mol_wt($seqobj);
Function: Calculate molecular weight of sequence
Example :
Returns : Reference to two element array containing lower and upper
bounds of molecule molecular weight. (For dna (and rna)
sequences, single-stranded weights are returned.) If
sequence contains no ambiguous elements, both entries in
array are equal to molecular weight of molecule.
Args : None or reference to sequence object
Throws : Exception if type of sequence is unknown (ie not amino or
nucleic) or if unknown letter in alphabet. Ambiguous
elements are allowed. |
| count_codons | code | prev | next | Top |
Title : count_codons
Usage : $rcount = $seqstats->count_codons (); or
$rcount = Bio::Tools::SeqStats->count_codons($seqobj);
Function: Counts the number of each type of codons in a given frame
for a dna or rna sequence.
Example :
Returns : Reference to a hash in which keys are codons of the genetic
alphabet used and values are number of occurrences of the
codons in the sequence. All codons with "ambiguous" bases
are counted together.
Args : None or reference to sequence object
Throws : an exception if type of sequence is unknown or protein. |
| _is_alphabet_strict | code | prev | next | Top |
Title : _is_alphabet_strict
Usage :
Function: internal function to determine whether there are
any ambiguous elements in the current sequence
Example :
Returns : 1 if strict alphabet is being used,
0 if ambiguous elements are present
Args :
Throws : an exception if type of sequence is unknown (ie amino or
nucleic) or if unknown letter in alphabet. Ambiguous
monomers are allowed. |
| _print_data | code | prev | next | Top |
Title : _print_data Usage : $seqobj->_print_data() or Bio::Tools::SeqStats->_print_data(); Function: Displays dna / rna parameters (used for debugging) Returns : 1 Args : NoneUsed for debugging. |
| BEGIN | Top |
%Alphabets = ( 'dna' => [ qw(A C G T R Y M K S W H B V D X N) ], 'rna' => [ qw(A C G U R Y M K S W H B V D X N) ], 'protein' => [ qw(A R N D C Q E G H I L K M F P S T W X Y V B Z *) ], # sac: added B, Z}
); # SAC: new strict alphabet: doesn't allow any ambiguity characters.
%Alphabets_strict = ( 'dna' => [ qw( A C G T ) ], 'rna' => [ qw( A C G U ) ], 'protein' => [ qw(A R N D C Q E G H I L K M F P S T W Y V) ], ); # IUPAC-IUB SYMBOLS FOR NUCLEOTIDE NOMENCLATURE:
# Cornish-Bowden (1985) Nucl. Acids Res. 13: 3021-3030.
# Amino Acid alphabet
# ------------------------------------------
# Symbol Meaning
# ------------------------------------------
my $amino_A_wt = 89.09; my $amino_C_wt = 121.15; my $amino_D_wt = 133.1; my $amino_E_wt = 147.13; my $amino_F_wt = 165.19; my $amino_G_wt = 75.07; my $amino_H_wt = 155.16; my $amino_I_wt = 131.18; my $amino_K_wt = 146.19; my $amino_L_wt = 131.18; my $amino_M_wt = 149.22; my $amino_N_wt = 132.12; my $amino_P_wt = 115.13; my $amino_Q_wt = 146.15; my $amino_R_wt = 174.21; my $amino_S_wt = 105.09; my $amino_T_wt = 119.12; my $amino_V_wt = 117.15; my $amino_W_wt = 204.22; my $amino_Y_wt = 181.19; $amino_weights = { 'A' => [$amino_A_wt, $amino_A_wt], # Alanine
'B' => [$amino_N_wt, $amino_D_wt], # Aspartic Acid, Asparagine
'C' => [$amino_C_wt, $amino_C_wt], # Cystine
'D' => [$amino_D_wt, $amino_D_wt], # Aspartic Acid
'E' => [$amino_E_wt, $amino_E_wt], # Glutamic Acid
'F' => [$amino_F_wt, $amino_F_wt], # Phenylalanine
'G' => [$amino_G_wt, $amino_G_wt], # Glycine
'H' => [$amino_H_wt, $amino_H_wt], # Histidine
'I' => [$amino_I_wt, $amino_I_wt], # Isoleucine
'K' => [$amino_K_wt, $amino_K_wt], # Lysine
'L' => [$amino_L_wt, $amino_L_wt], # Leucine
'M' => [$amino_M_wt, $amino_M_wt], # Methionine
'N' => [$amino_N_wt, $amino_N_wt], # Asparagine
'P' => [$amino_P_wt, $amino_P_wt], # Proline
'Q' => [$amino_Q_wt, $amino_Q_wt], # Glutamine
'R' => [$amino_R_wt, $amino_R_wt], # Arginine
'S' => [$amino_S_wt, $amino_S_wt], # Serine
'T' => [$amino_T_wt, $amino_T_wt], # Threonine
'V' => [$amino_V_wt, $amino_V_wt], # Valine
'W' => [$amino_W_wt, $amino_W_wt], # Tryptophan
'X' => [$amino_G_wt, $amino_W_wt], # Unknown
'Y' => [$amino_Y_wt, $amino_Y_wt], # Tyrosine
'Z' => [$amino_Q_wt, $amino_E_wt], # Glutamic Acid, Glutamine
}; # Extended Dna / Rna alphabet
use vars ( qw($C $O $N $H $P $water) ); use vars ( qw($adenine $guanine $cytosine $thymine $uracil)); use vars ( qw($ribose_phosphate $deoxyribose_phosphate $ppi)); use vars ( qw($dna_A_wt $dna_C_wt $dna_G_wt $dna_T_wt $rna_A_wt $rna_C_wt $rna_G_wt $rna_U_wt)); use vars ( qw($dna_weights $rna_weights %Weights)); $C = 12.01; $O = 16.00; $N = 14.01; $H = 1.01; $P = 30.97; $water = 18.015; $adenine = 5 * $C + 5 * $N + 5 * $H; $guanine = 5 * $C + 5 * $N + 1 * $O + 5 * $H; $cytosine = 4 * $C + 3 * $N + 1 * $O + 5 * $H; $thymine = 5 * $C + 2 * $N + 2 * $O + 6 * $H; $uracil = 4 * $C + 2 * $N + 2 * $O + 4 * $H; $ribose_phosphate = 5 * $C + 7 * $O + 9 * $H + 1 * $P; #neutral (unionized) form
$deoxyribose_phosphate = 5 * $C + 6 * $O + 9 * $H + 1 * $P; # the following are single strand molecular weights / base
$dna_A_wt = $adenine + $deoxyribose_phosphate - $water; $dna_C_wt = $cytosine + $deoxyribose_phosphate - $water; $dna_G_wt = $guanine + $deoxyribose_phosphate - $water; $dna_T_wt = $thymine + $deoxyribose_phosphate - $water; $rna_A_wt = $adenine + $ribose_phosphate - $water; $rna_C_wt = $cytosine + $ribose_phosphate - $water; $rna_G_wt = $guanine + $ribose_phosphate - $water; $rna_U_wt = $uracil + $ribose_phosphate - $water; $dna_weights = { 'A' => [$dna_A_wt,$dna_A_wt], # Adenine
'C' => [$dna_C_wt,$dna_C_wt], # Cytosine
'G' => [$dna_G_wt,$dna_G_wt], # Guanine
'T' => [$dna_T_wt,$dna_T_wt], # Thymine
'M' => [$dna_C_wt,$dna_A_wt], # A or C
'R' => [$dna_A_wt,$dna_G_wt], # A or G
'W' => [$dna_T_wt,$dna_A_wt], # A or T
'S' => [$dna_C_wt,$dna_G_wt], # C or G
'Y' => [$dna_C_wt,$dna_T_wt], # C or T
'K' => [$dna_T_wt,$dna_G_wt], # G or T
'V' => [$dna_C_wt,$dna_G_wt], # A or C or G
'H' => [$dna_C_wt,$dna_A_wt], # A or C or T
'D' => [$dna_T_wt,$dna_G_wt], # A or G or T
'B' => [$dna_C_wt,$dna_G_wt], # C or G or T
'X' => [$dna_C_wt,$dna_G_wt], # G or A or T or C
'N' => [$dna_C_wt,$dna_G_wt], # G or A or T or C
}; $rna_weights = { 'A' => [$rna_A_wt,$rna_A_wt], # Adenine
'C' => [$rna_C_wt,$rna_C_wt], # Cytosine
'G' => [$rna_G_wt,$rna_G_wt], # Guanine
'U' => [$rna_U_wt,$rna_U_wt], # Uracil
'M' => [$rna_C_wt,$rna_A_wt], # A or C
'R' => [$rna_A_wt,$rna_G_wt], # A or G
'W' => [$rna_U_wt,$rna_A_wt], # A or U
'S' => [$rna_C_wt,$rna_G_wt], # C or G
'Y' => [$rna_C_wt,$rna_U_wt], # C or U
'K' => [$rna_U_wt,$rna_G_wt], # G or U
'V' => [$rna_C_wt,$rna_G_wt], # A or C or G
'H' => [$rna_C_wt,$rna_A_wt], # A or C or U
'D' => [$rna_U_wt,$rna_G_wt], # A or G or U
'B' => [$rna_C_wt,$rna_G_wt], # C or G or U
'X' => [$rna_C_wt,$rna_G_wt], # G or A or U or C
'N' => [$rna_C_wt,$rna_G_wt], # G or A or U or C
}; %Weights = ( 'dna' => $dna_weights, 'rna' => $rna_weights, 'protein' => $amino_weights, );
| new | description | prev | next | Top |
my($class,@args) = @_; my $self = $class->SUPER::new(@args); my ($seqobj) = $self->_rearrange([qw(SEQ)],@args); unless ($seqobj->isa("Bio::PrimarySeqI")) { $self->throw(" SeqStats works only on PrimarySeqI objects\n "); } if ( !defined $seqobj->alphabet || ! defined $Alphabets{$seqobj->alphabet}) { $self->throw("Must have a valid alphabet defined for seq (". join(",",keys %Alphabets)); } $self->{'_seqref'} = $seqobj; $self->{'_is_strict'} = _is_alphabet_strict($seqobj); # check the letters in the sequence}
return $self;
| count_monomers | description | prev | next | Top |
my $rcount; my %count = (); my $seqobj; my $_is_strict; my $element = ''; my $_is_instance = 1 ; my $self = shift @_; my $object_argument = shift @_; # First we need to determine if the present object is an instance}
# object or if the sequence object has been passed as an argument
if (defined $object_argument) { $_is_instance = 0; } # If we are using an instance object...
if ($_is_instance) { if ($rcount = $self->{'_monomer_count'}) { return $rcount; # return count if previously calculated
} $_is_strict = $self->{'_is_strict'}; # retrieve "strictness"
$seqobj = $self->{'_seqref'}; } else { # otherwise...
$seqobj = $object_argument; # Following two lines lead to error in "throw" routine
$seqobj->isa("Bio::PrimarySeqI") || $self->throw(" SeqStats works only on PrimarySeqI objects\n "); # is alphabet OK? Is it strict?
$_is_strict = _is_alphabet_strict($seqobj); } my $alphabet = $_is_strict ? $Alphabets_strict{$seqobj->alphabet} : $Alphabets{$seqobj->alphabet} ; # get array of allowed letters
# convert everything to upper case to be safe
my $seqstring = uc $seqobj->seq(); # For each letter, count the number of times it appears in
# the sequence
LETTER: foreach $element (@$alphabet) { # skip terminator symbol which may confuse regex
next LETTER if ($element eq '*'); $count{$element} = ( $seqstring =~ s/$element/$element/g); } $rcount =\% count; if ($_is_instance) { $self->{'_monomer_count'} = $rcount; # Save in case called again later
} return $rcount;
| get_mol_wt | description | prev | next | Top |
my $seqobj;
my $_is_strict;
my $element = '';
my $_is_instance = 1 ;
my $self = shift @_;
my $object_argument = shift @_;
my ($weight_array, $rcount);
if (defined $object_argument) {
$_is_instance = 0;
}
if ($_is_instance) {
if ($weight_array = $self->{'_mol_wt'}) {
# return mol. weight if previously calculated
return $weight_array;
}
$seqobj = $self->{'_seqref'};
$rcount = $self->count_monomers();
} else {
$seqobj = $object_argument;
$seqobj->isa("Bio::PrimarySeqI") ||
die("Error: SeqStats works only on PrimarySeqI objects\n ");
$_is_strict = _is_alphabet_strict($seqobj); # is alphabet OK?
$rcount = $self->count_monomers($seqobj);
}
# We will also need to know what type of monomer we are dealing with
my $moltype = $seqobj->alphabet();
# In general,the molecular weight is bounded below by the sum of the
# weights of lower bounds of each alphabet symbol times the number of
# occurrences of the symbol in the sequence. A similar upper bound on
# the weight is also calculated.
# Note that for "strict" (ie unambiguous) sequences there is an
# inefficiency since the upper bound = the lower bound (and is
# calculated twice). However, this decrease in performance will be
# minor and leads to (IMO) significantly more readable code.
my $weight_lower_bound = 0;
my $weight_upper_bound = 0;
my $weight_table = $Weights{$moltype};
# my $water = 18.015;
# compute weight of all the residues
foreach $element (keys %$rcount) {
$weight_lower_bound += $$rcount{$element} * $$weight_table{$element}->[0];
$weight_upper_bound += $$rcount{$element} * $$weight_table{$element}->[1];
}
if ($moltype =~ /protein/) {
# remove of H2O during peptide bond formation.
$weight_lower_bound -= $water * ($seqobj->length - 1);
$weight_upper_bound -= $water * ($seqobj->length - 1);
} else {
# Correction because phosphate of 5' residue has additional OH and
# sugar ring of 3' residue has additional H
$weight_lower_bound += $water;
$weight_upper_bound += $water;
}
$weight_lower_bound = sprintf("%.0f", $weight_lower_bound);
$weight_upper_bound = sprintf("%.0f", $weight_upper_bound);
$weight_array = [$weight_lower_bound, $weight_upper_bound];
if ($_is_instance) {
$self->{'_mol_wt'} = $weight_array; # Save in case called again later
}
return $weight_array;}| count_codons | description | prev | next | Top |
my $rcount = {}; my $codon ; my $seqobj; my $_is_strict; my $element = ''; my $_is_instance = 1 ; my $self = shift @_; my $object_argument = shift @_; if (defined $object_argument) { $_is_instance = 0; } if ($_is_instance) { if ($rcount = $self->{'_codon_count'}) { return $rcount; # return count if previously calculated}
} $_is_strict = $self->{'_is_strict'}; # retrieve "strictness"
$seqobj = $self->{'_seqref'}; } else { $seqobj = $object_argument; $seqobj->isa("Bio::PrimarySeqI") || die(" Error: SeqStats works only on PrimarySeqI objects\n "); $_is_strict = _is_alphabet_strict($seqobj); } # Codon counts only make sense for nucleic acid sequences
my $alphabet = $seqobj->alphabet(); unless ($alphabet =~ /[dr]na/) { $seqobj->throw(" Codon counts only meaningful for dna or rna, not for $alphabet sequences.\n "); } # If sequence contains ambiguous bases, warn that codons containing them will all be
# lumped together in the count.
if (!$_is_strict ) { $seqobj->warn(" Sequence $seqobj contains ambiguous bases.\n All codons with ambiguous bases will be added together in count.\n "); } my $seq = $seqobj->seq(); # Now step through the string by threes and count the codons
CODON: while (length($seq) > 2) { $codon = substr($seq,0,3); $seq = substr($seq,3); if ($codon =~ /[^ACTGU]/) { $$rcount{'ambiguous'}++; #lump together ambiguous codons
next CODON; } if (!defined $$rcount{$codon}) { $$rcount{$codon}= 1 ; next CODON; } $$rcount{$codon}++; # default
} if ($_is_instance) { $self->{'_codon_count'} = $rcount; # Save in case called again later
} return $rcount;
| _is_alphabet_strict | description | prev | next | Top |
my ($seqobj) = @_;
my $moltype = $seqobj->alphabet();
# convert everything to upper case to be safe
my $seqstring = uc $seqobj->seq();
# First we check if only the 'strict' letters are present in the
# sequence string If not, we check whether the remaining letters are
# ambiguous monomers or whether there are illegal letters in the
# string
# $alpha_array is a ref to an array of the 'strictly' allowed letters
my $alpha_array = $Alphabets_strict{$moltype} ;
# $alphabet contains the allowed letters in string form
my $alphabet = join ('', @$alpha_array) ;
unless ($seqstring =~ /[^$alphabet]/) {
return 1 ;
}
# Next try to match with the alphabet's ambiguous letters
$alpha_array = $Alphabets{$moltype} ;
$alphabet = join ('', @$alpha_array) ;
unless ($seqstring =~ /[^$alphabet]/) {
return 0 ;
}
# If we got here there is an illegal letter in the sequence
$seqobj->throw(" Alphabet not OK for $seqobj\n ");}| _print_data | description | prev | next | Top |
print "\n adenine = : $adenine\n ";
print "\n guanine = : $guanine\n ";
print "\n cytosine = : $cytosine\n ";
print "\n thymine = : $thymine\n ";
print "\n uracil = : $uracil\n ";
print "\n dna_A_wt = : $dna_A_wt\n ";
print "\n dna_C_wt = : $dna_C_wt\n ";
print "\n dna_G_wt = : $dna_G_wt\n ";
print "\n dna_T_wt = : $dna_T_wt\n ";
print "\n rna_A_wt = : $rna_A_wt\n ";
print "\n rna_C_wt = : $rna_C_wt\n ";
print "\n rna_G_wt = : $rna_G_wt\n ";
print "\n rna_U_wt = : $rna_U_wt\n ";
return 1;}| DEVELOPERS NOTES | Top |
| FEEDBACK | Top |
| Mailing Lists | Top |
bioperl-l@bioperl.org - General discussion http://bio.perl.org/MailList.html - About the mailing lists
| Reporting Bugs | Top |
bioperl-bugs@bio.perl.org http://bio.perl.org/bioperl-bugs/
| AUTHOR - Peter Schattner | Top |
| APPENDIX | Top |