line |
stmt |
bran |
cond |
sub |
pod |
time |
code |
1
|
|
|
|
|
|
|
# |
2
|
|
|
|
|
|
|
# BioPerl module for Bio::Tools::Phylo::Molphy |
3
|
|
|
|
|
|
|
# |
4
|
|
|
|
|
|
|
# Please direct questions and support issues to |
5
|
|
|
|
|
|
|
# |
6
|
|
|
|
|
|
|
# Cared for by Jason Stajich |
7
|
|
|
|
|
|
|
# |
8
|
|
|
|
|
|
|
# Copyright Jason Stajich |
9
|
|
|
|
|
|
|
# |
10
|
|
|
|
|
|
|
# You may distribute this module under the same terms as perl itself |
11
|
|
|
|
|
|
|
|
12
|
|
|
|
|
|
|
# POD documentation - main docs before the code |
13
|
|
|
|
|
|
|
|
14
|
|
|
|
|
|
|
=head1 NAME |
15
|
|
|
|
|
|
|
|
16
|
|
|
|
|
|
|
Bio::Tools::Phylo::Molphy - parser for Molphy output |
17
|
|
|
|
|
|
|
|
18
|
|
|
|
|
|
|
=head1 SYNOPSIS |
19
|
|
|
|
|
|
|
|
20
|
|
|
|
|
|
|
use Bio::Tools::Phylo::Molphy; |
21
|
|
|
|
|
|
|
my $parser = Bio::Tools::Phylo::Molphy->new(-file => 'output.protml'); |
22
|
|
|
|
|
|
|
while( my $r = $parser->next_result ) { |
23
|
|
|
|
|
|
|
# r is a Bio::Tools::Phylo::Molphy::Result object |
24
|
|
|
|
|
|
|
|
25
|
|
|
|
|
|
|
# print the model name |
26
|
|
|
|
|
|
|
print $r->model, "\n"; |
27
|
|
|
|
|
|
|
|
28
|
|
|
|
|
|
|
# get the substitution matrix |
29
|
|
|
|
|
|
|
# this is a hash of 3letter aa codes -> 3letter aa codes representing |
30
|
|
|
|
|
|
|
# substitution rate |
31
|
|
|
|
|
|
|
my $smat = $r->substitution_matrix; |
32
|
|
|
|
|
|
|
print "Arg -> Gln substitution rate is %d\n", |
33
|
|
|
|
|
|
|
$smat->{'Arg'}->{'Gln'}, "\n"; |
34
|
|
|
|
|
|
|
|
35
|
|
|
|
|
|
|
# get the transition probablity matrix |
36
|
|
|
|
|
|
|
# this is a hash of 3letter aa codes -> 3letter aa codes representing |
37
|
|
|
|
|
|
|
# transition probabilty |
38
|
|
|
|
|
|
|
my $tmat = $r->transition_probability_matrix; |
39
|
|
|
|
|
|
|
print "Arg -> Gln transition probablity is %.2f\n", |
40
|
|
|
|
|
|
|
$tmat->{'Arg'}->{'Gln'}, "\n"; |
41
|
|
|
|
|
|
|
|
42
|
|
|
|
|
|
|
# get the frequency for each of the residues |
43
|
|
|
|
|
|
|
my $rfreqs = $r->residue_frequencies; |
44
|
|
|
|
|
|
|
|
45
|
|
|
|
|
|
|
foreach my $residue ( keys %{$rfreqs} ) { |
46
|
|
|
|
|
|
|
printf "residue %s expected freq: %.2f observed freq: %.2f\n", |
47
|
|
|
|
|
|
|
$residue,$rfreqs->{$residue}->[0], $rfreqs->{$residue}->[1]; |
48
|
|
|
|
|
|
|
} |
49
|
|
|
|
|
|
|
|
50
|
|
|
|
|
|
|
my @trees; |
51
|
|
|
|
|
|
|
while( my $t = $r->next_tree ) { |
52
|
|
|
|
|
|
|
push @trees, $t; |
53
|
|
|
|
|
|
|
} |
54
|
|
|
|
|
|
|
|
55
|
|
|
|
|
|
|
print "search space is ", $r->search_space, "\n", |
56
|
|
|
|
|
|
|
"1st tree score is ", $trees[0]->score, "\n"; |
57
|
|
|
|
|
|
|
|
58
|
|
|
|
|
|
|
# writing to STDOUT, use -file => '>filename' to specify a file |
59
|
|
|
|
|
|
|
my $out = Bio::TreeIO->new(-format => "newick"); |
60
|
|
|
|
|
|
|
$out->write_tree($trees[0]); # writing only the 1st tree |
61
|
|
|
|
|
|
|
} |
62
|
|
|
|
|
|
|
|
63
|
|
|
|
|
|
|
=head1 DESCRIPTION |
64
|
|
|
|
|
|
|
|
65
|
|
|
|
|
|
|
A parser for Molphy output (protml,dnaml) |
66
|
|
|
|
|
|
|
|
67
|
|
|
|
|
|
|
=head1 FEEDBACK |
68
|
|
|
|
|
|
|
|
69
|
|
|
|
|
|
|
=head2 Mailing Lists |
70
|
|
|
|
|
|
|
|
71
|
|
|
|
|
|
|
User feedback is an integral part of the evolution of this and other |
72
|
|
|
|
|
|
|
Bioperl modules. Send your comments and suggestions preferably to |
73
|
|
|
|
|
|
|
the Bioperl mailing list. Your participation is much appreciated. |
74
|
|
|
|
|
|
|
|
75
|
|
|
|
|
|
|
bioperl-l@bioperl.org - General discussion |
76
|
|
|
|
|
|
|
http://bioperl.org/wiki/Mailing_lists - About the mailing lists |
77
|
|
|
|
|
|
|
|
78
|
|
|
|
|
|
|
=head2 Support |
79
|
|
|
|
|
|
|
|
80
|
|
|
|
|
|
|
Please direct usage questions or support issues to the mailing list: |
81
|
|
|
|
|
|
|
|
82
|
|
|
|
|
|
|
I |
83
|
|
|
|
|
|
|
|
84
|
|
|
|
|
|
|
rather than to the module maintainer directly. Many experienced and |
85
|
|
|
|
|
|
|
reponsive experts will be able look at the problem and quickly |
86
|
|
|
|
|
|
|
address it. Please include a thorough description of the problem |
87
|
|
|
|
|
|
|
with code and data examples if at all possible. |
88
|
|
|
|
|
|
|
|
89
|
|
|
|
|
|
|
=head2 Reporting Bugs |
90
|
|
|
|
|
|
|
|
91
|
|
|
|
|
|
|
Report bugs to the Bioperl bug tracking system to help us keep track |
92
|
|
|
|
|
|
|
of the bugs and their resolution. Bug reports can be submitted via the |
93
|
|
|
|
|
|
|
web: |
94
|
|
|
|
|
|
|
|
95
|
|
|
|
|
|
|
https://github.com/bioperl/bioperl-live/issues |
96
|
|
|
|
|
|
|
|
97
|
|
|
|
|
|
|
=head1 AUTHOR - Jason Stajich |
98
|
|
|
|
|
|
|
|
99
|
|
|
|
|
|
|
Email jason-at-bioperl.org |
100
|
|
|
|
|
|
|
|
101
|
|
|
|
|
|
|
=head1 APPENDIX |
102
|
|
|
|
|
|
|
|
103
|
|
|
|
|
|
|
The rest of the documentation details each of the object methods. |
104
|
|
|
|
|
|
|
Internal methods are usually preceded with a _ |
105
|
|
|
|
|
|
|
|
106
|
|
|
|
|
|
|
=cut |
107
|
|
|
|
|
|
|
|
108
|
|
|
|
|
|
|
|
109
|
|
|
|
|
|
|
# Let the code begin... |
110
|
|
|
|
|
|
|
|
111
|
|
|
|
|
|
|
|
112
|
|
|
|
|
|
|
package Bio::Tools::Phylo::Molphy; |
113
|
1
|
|
|
1
|
|
472
|
use strict; |
|
1
|
|
|
|
|
2
|
|
|
1
|
|
|
|
|
23
|
|
114
|
|
|
|
|
|
|
|
115
|
1
|
|
|
1
|
|
327
|
use Bio::Tools::Phylo::Molphy::Result; |
|
1
|
|
|
|
|
1
|
|
|
1
|
|
|
|
|
29
|
|
116
|
1
|
|
|
1
|
|
252
|
use Bio::TreeIO; |
|
1
|
|
|
|
|
3
|
|
|
1
|
|
|
|
|
29
|
|
117
|
1
|
|
|
1
|
|
4
|
use IO::String; |
|
1
|
|
|
|
|
1
|
|
|
1
|
|
|
|
|
21
|
|
118
|
|
|
|
|
|
|
|
119
|
1
|
|
|
1
|
|
3
|
use base qw(Bio::Root::Root Bio::Root::IO); |
|
1
|
|
|
|
|
1
|
|
|
1
|
|
|
|
|
920
|
|
120
|
|
|
|
|
|
|
|
121
|
|
|
|
|
|
|
=head2 new |
122
|
|
|
|
|
|
|
|
123
|
|
|
|
|
|
|
Title : new |
124
|
|
|
|
|
|
|
Usage : my $obj = Bio::Tools::Phylo::Molphy->new(); |
125
|
|
|
|
|
|
|
Function: Builds a new Bio::Tools::Phylo::Molphy object |
126
|
|
|
|
|
|
|
Returns : Bio::Tools::Phylo::Molphy |
127
|
|
|
|
|
|
|
Args : -fh/-file => $val, # for initing input, see Bio::Root::IO |
128
|
|
|
|
|
|
|
|
129
|
|
|
|
|
|
|
|
130
|
|
|
|
|
|
|
=cut |
131
|
|
|
|
|
|
|
|
132
|
|
|
|
|
|
|
sub new { |
133
|
2
|
|
|
2
|
1
|
4
|
my($class,@args) = @_; |
134
|
|
|
|
|
|
|
|
135
|
2
|
|
|
|
|
11
|
my $self = $class->SUPER::new(@args); |
136
|
2
|
|
|
|
|
7
|
$self->_initialize_io(@args); |
137
|
|
|
|
|
|
|
|
138
|
2
|
|
|
|
|
6
|
return $self; |
139
|
|
|
|
|
|
|
} |
140
|
|
|
|
|
|
|
|
141
|
|
|
|
|
|
|
=head2 next_result |
142
|
|
|
|
|
|
|
|
143
|
|
|
|
|
|
|
Title : next_result |
144
|
|
|
|
|
|
|
Usage : my $r = $molphy->next_result |
145
|
|
|
|
|
|
|
Function: Get the next result set from parser data |
146
|
|
|
|
|
|
|
Returns : Bio::Tools::Phylo::Molphy::Result object |
147
|
|
|
|
|
|
|
Args : none |
148
|
|
|
|
|
|
|
|
149
|
|
|
|
|
|
|
|
150
|
|
|
|
|
|
|
=cut |
151
|
|
|
|
|
|
|
|
152
|
|
|
|
|
|
|
sub next_result{ |
153
|
2
|
|
|
2
|
1
|
371
|
my ($self) = @_; |
154
|
|
|
|
|
|
|
|
155
|
|
|
|
|
|
|
# A little statemachine for the parser here |
156
|
2
|
|
|
|
|
4
|
my ($state,$transition_ct, |
157
|
|
|
|
|
|
|
@transition_matrix, %transition_mat, @resloc,) = ( 0,0); |
158
|
2
|
|
|
|
|
2
|
my ( %subst_matrix, @treelines, @treedata, %frequencies); |
159
|
0
|
|
|
|
|
0
|
my ( $treenum,$possible_trees, $model); |
160
|
0
|
|
|
|
|
0
|
my ($trans_type,$trans_amount); |
161
|
2
|
|
|
|
|
2
|
my $parsed = 0; |
162
|
2
|
|
|
|
|
8
|
while( defined ( $_ = $self->_readline()) ) { |
163
|
82
|
|
|
|
|
52
|
$parsed = 1; |
164
|
82
|
100
|
|
|
|
249
|
if( /^Relative Substitution Rate Matrix/ ) { |
|
|
100
|
|
|
|
|
|
|
|
100
|
|
|
|
|
|
|
|
100
|
|
|
|
|
|
|
|
100
|
|
|
|
|
|
|
|
100
|
|
|
|
|
|
165
|
1
|
50
|
|
|
|
4
|
if( %subst_matrix ) { |
166
|
0
|
|
|
|
|
0
|
$self->_pushback($_); |
167
|
0
|
|
|
|
|
0
|
last; |
168
|
|
|
|
|
|
|
} |
169
|
1
|
|
|
|
|
1
|
$state = 0; |
170
|
1
|
|
|
|
|
2
|
my ( @tempdata); |
171
|
1
|
|
|
|
|
2
|
@resloc = (); |
172
|
1
|
|
|
|
|
2
|
while( defined ($_ = $self->_readline) ) { |
173
|
21
|
100
|
|
|
|
44
|
last if (/^\s+$/); |
174
|
|
|
|
|
|
|
# remove leading/trailing spaces |
175
|
20
|
|
|
|
|
35
|
s/^\s+//; |
176
|
20
|
|
|
|
|
70
|
s/\s+$//; |
177
|
20
|
|
|
|
|
107
|
my @data = split; |
178
|
20
|
|
|
|
|
16
|
my $i = 0; |
179
|
20
|
|
|
|
|
21
|
for my $l ( @data ) { |
180
|
400
|
100
|
|
|
|
466
|
if( $l =~ /\D+/ ) { |
181
|
20
|
|
|
|
|
27
|
push @resloc, $l; |
182
|
|
|
|
|
|
|
} |
183
|
400
|
|
|
|
|
246
|
$i++; |
184
|
|
|
|
|
|
|
} |
185
|
20
|
|
|
|
|
44
|
push @tempdata, \@data; |
186
|
|
|
|
|
|
|
} |
187
|
1
|
|
|
|
|
2
|
my $i = 0; |
188
|
1
|
|
|
|
|
2
|
for my $row ( @tempdata ) { |
189
|
20
|
|
|
|
|
15
|
my $j = 0; |
190
|
20
|
|
|
|
|
14
|
for my $col ( @$row ) { |
191
|
400
|
100
|
|
|
|
358
|
if( $i == $j ) { |
192
|
|
|
|
|
|
|
# empty string for diagonals |
193
|
20
|
|
|
|
|
26
|
$subst_matrix{$resloc[$i]}->{$resloc[$j]} = ''; |
194
|
|
|
|
|
|
|
} else { |
195
|
380
|
|
|
|
|
429
|
$subst_matrix{$resloc[$i]}->{$resloc[$j]} = $col; |
196
|
|
|
|
|
|
|
} |
197
|
400
|
|
|
|
|
249
|
$j++; |
198
|
|
|
|
|
|
|
} |
199
|
20
|
|
|
|
|
32
|
$i++; |
200
|
|
|
|
|
|
|
} |
201
|
|
|
|
|
|
|
} elsif( /^Transition Probability Matrix/ ) { |
202
|
2
|
50
|
|
|
|
9
|
if( /(1\.0e(5|7))\)\s+(\S+)/ ) { |
203
|
2
|
|
|
|
|
2
|
$state = 1; |
204
|
2
|
|
|
|
|
7
|
my $newtrans_type = "$3-$1"; |
205
|
2
|
|
|
|
|
2
|
$trans_amount = $1; |
206
|
2
|
100
|
|
|
|
4
|
if( defined $trans_type ) { |
207
|
|
|
|
|
|
|
# finish processing the transition_matrix |
208
|
1
|
|
|
|
|
2
|
my $i =0; |
209
|
1
|
|
|
|
|
2
|
foreach my $row ( @transition_matrix ) { |
210
|
20
|
|
|
|
|
9
|
my $j = 0; |
211
|
20
|
|
|
|
|
17
|
foreach my $col ( @$row ) { |
212
|
400
|
|
|
|
|
449
|
$transition_mat{$trans_type}->{$resloc[$i]}->{$resloc[$j]} = $col; |
213
|
400
|
|
|
|
|
244
|
$j++; |
214
|
|
|
|
|
|
|
} |
215
|
20
|
|
|
|
|
18
|
$i++; |
216
|
|
|
|
|
|
|
} |
217
|
|
|
|
|
|
|
} |
218
|
2
|
|
|
|
|
3
|
$trans_type = $newtrans_type; |
219
|
2
|
|
|
|
|
3
|
$transition_ct = 0; |
220
|
2
|
|
|
|
|
31
|
@transition_matrix = (); |
221
|
|
|
|
|
|
|
} |
222
|
|
|
|
|
|
|
} elsif ( /Acid Frequencies/ ) { |
223
|
1
|
|
|
|
|
2
|
$state = 0; |
224
|
1
|
|
|
|
|
2
|
$self->_readline(); # skip the next line |
225
|
1
|
|
|
|
|
2
|
while( defined( $_ = $self->_readline) ) { |
226
|
21
|
100
|
|
|
|
38
|
unless( /^\s+/) { |
227
|
1
|
|
|
|
|
6
|
$self->_pushback($_); |
228
|
1
|
|
|
|
|
3
|
last; |
229
|
|
|
|
|
|
|
} |
230
|
20
|
|
|
|
|
27
|
s/^\s+//; |
231
|
20
|
|
|
|
|
39
|
s/\s+$//; |
232
|
20
|
|
|
|
|
39
|
my ($index,$res,$model,$data) = split; |
233
|
20
|
|
|
|
|
48
|
$frequencies{$res} = [ $model,$data]; |
234
|
|
|
|
|
|
|
} |
235
|
|
|
|
|
|
|
} elsif( /^(\d+)\s*\/\s*(\d+)\s+(.+)\s+model/ ) { |
236
|
2
|
|
|
|
|
8
|
my @save = ($1,$2,$3); |
237
|
|
|
|
|
|
|
# finish processing the transition_matrix |
238
|
2
|
|
|
|
|
2
|
my $i =0; |
239
|
2
|
|
|
|
|
4
|
foreach my $row ( @transition_matrix ) { |
240
|
20
|
|
|
|
|
15
|
my $j = 0; |
241
|
20
|
|
|
|
|
12
|
foreach my $col ( @$row ) { |
242
|
400
|
|
|
|
|
460
|
$transition_mat{$trans_type}->{$resloc[$i]}->{$resloc[$j]} = $col; |
243
|
400
|
|
|
|
|
237
|
$j++; |
244
|
|
|
|
|
|
|
} |
245
|
20
|
|
|
|
|
15
|
$i++; |
246
|
|
|
|
|
|
|
} |
247
|
2
|
50
|
|
|
|
5
|
if( defined $treenum ) { |
248
|
0
|
|
|
|
|
0
|
$self->_pushback($_); |
249
|
0
|
|
|
|
|
0
|
last; |
250
|
|
|
|
|
|
|
} |
251
|
|
|
|
|
|
|
|
252
|
2
|
|
|
|
|
1
|
$state = 2; |
253
|
2
|
|
|
|
|
4
|
($treenum,$possible_trees, $model) = @save; |
254
|
2
|
|
|
|
|
8
|
$model =~ s/\s+/ /g; |
255
|
|
|
|
|
|
|
} elsif( $state == 1 ) { |
256
|
65
|
100
|
100
|
|
|
222
|
next if( /^\s+$/ || /^\s+Ala/); |
257
|
61
|
|
|
|
|
83
|
s/^\s+//; |
258
|
61
|
|
|
|
|
196
|
s/\s+$//; |
259
|
61
|
100
|
|
|
|
87
|
if( $trans_type eq '1PAM-1.0e7' ) { |
|
|
50
|
|
|
|
|
|
260
|
|
|
|
|
|
|
# because the matrix is split up into 2-10 column sets |
261
|
40
|
|
|
|
|
18
|
push @{$transition_matrix[$transition_ct++]}, split ; |
|
40
|
|
|
|
|
156
|
|
262
|
40
|
100
|
|
|
|
95
|
$transition_ct = 0 if $transition_ct % 20 == 0; |
263
|
|
|
|
|
|
|
} elsif( $trans_type eq '1PAM-1.0e5' ) { |
264
|
|
|
|
|
|
|
# because the matrix is split up into 2-10 column sets |
265
|
21
|
|
|
|
|
92
|
my ($res,@row) = split; |
266
|
21
|
100
|
|
|
|
36
|
next if $transition_ct >= 20; # skip last |
267
|
20
|
|
|
|
|
17
|
push @{$transition_matrix[$transition_ct++]}, @row; |
|
20
|
|
|
|
|
121
|
|
268
|
|
|
|
|
|
|
} |
269
|
|
|
|
|
|
|
} elsif( $state == 2 ) { |
270
|
10
|
100
|
|
|
|
26
|
if( s/^(\d+)\s+(\-?\d+(\.\d+)?)\s+// ) { |
271
|
5
|
|
|
|
|
10
|
push @treedata, [ $1,$2]; |
272
|
|
|
|
|
|
|
} |
273
|
|
|
|
|
|
|
# save this for the end so that we can |
274
|
|
|
|
|
|
|
# be efficient and only open one tree parser |
275
|
10
|
|
|
|
|
19
|
push @treelines, $_; |
276
|
|
|
|
|
|
|
} |
277
|
|
|
|
|
|
|
} |
278
|
|
|
|
|
|
|
# waiting till the end to do this, is it better |
279
|
2
|
|
|
|
|
40
|
my @trees; |
280
|
2
|
50
|
|
|
|
6
|
if( @treelines ) { |
281
|
2
|
|
|
|
|
12
|
my $strdat = IO::String->new(join('',@treelines)); |
282
|
2
|
|
|
|
|
73
|
my $treeio = Bio::TreeIO->new(-fh => $strdat, |
283
|
|
|
|
|
|
|
-format => 'newick'); |
284
|
2
|
|
|
|
|
4
|
while( my $tree = $treeio->next_tree ) { |
285
|
10
|
100
|
|
|
|
18
|
if( @treedata ) { |
286
|
5
|
|
|
|
|
4
|
my $dat = shift @treedata; |
287
|
|
|
|
|
|
|
# set the associated information |
288
|
5
|
|
|
|
|
10
|
$tree->id($dat->[0]); |
289
|
5
|
|
|
|
|
18
|
$tree->score($dat->[1]); |
290
|
|
|
|
|
|
|
} |
291
|
10
|
|
|
|
|
22
|
push @trees, $tree; |
292
|
|
|
|
|
|
|
} |
293
|
|
|
|
|
|
|
} |
294
|
2
|
50
|
|
|
|
16
|
return unless( $parsed ); |
295
|
2
|
|
|
|
|
23
|
my $result = Bio::Tools::Phylo::Molphy::Result->new |
296
|
|
|
|
|
|
|
(-trees => \@trees, |
297
|
|
|
|
|
|
|
-substitution_matrix => \%subst_matrix, |
298
|
|
|
|
|
|
|
-frequencies => \%frequencies, |
299
|
|
|
|
|
|
|
-model => $model, |
300
|
|
|
|
|
|
|
-search_space => $possible_trees, |
301
|
|
|
|
|
|
|
); |
302
|
2
|
|
|
|
|
8
|
while( my ($type,$mat) = each %transition_mat ) { |
303
|
2
|
|
|
|
|
5
|
$result->transition_probability_matrix( $type,$mat); |
304
|
|
|
|
|
|
|
} |
305
|
2
|
|
|
|
|
26
|
$result; |
306
|
|
|
|
|
|
|
} |
307
|
|
|
|
|
|
|
|
308
|
|
|
|
|
|
|
1; |