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comparison corebio/seq_io/clustal_io.py @ 0:c55bdc2fb9fa

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author davidmurphy
date Thu, 27 Oct 2011 12:09:09 -0400
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1
2 # Copyright (c) 2005 Gavin E. Crooks <gec@threeplusone.com>
3 #
4 # This software is distributed under the MIT Open Source License.
5 # <http://www.opensource.org/licenses/mit-license.html>
6 #
7 # Permission is hereby granted, free of charge, to any person obtaining a
8 # copy of this software and associated documentation files (the "Software"),
9 # to deal in the Software without restriction, including without limitation
10 # the rights to use, copy, modify, merge, publish, distribute, sublicense,
11 # and/or sell copies of the Software, and to permit persons to whom the
12 # Software is furnished to do so, subject to the following conditions:
13 #
14 # The above copyright notice and this permission notice shall be included
15 # in all copies or substantial portions of the Software.
16 #
17 # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
18 # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
19 # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
20 # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
21 # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
22 # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
23 # THE SOFTWARE.
24 #
25
26 """ Read and write the CLUSTAL sequence file format.
27
28 See :
29 - http://www.cmpharm.ucsf.edu/~goh/Treecorr/sampleAlignment.html
30 - http://www.bioperl.org/wiki/ClustalW_multiple_alignment_format
31
32 Ref :
33 - Higgins D., Thompson J., Gibson T., Thompson J.D., Higgins D.G., Gibson
34 T.J. (1994). CLUSTAL W: improving the sensitivity of progressive multiple
35 sequence alignment through sequence weighting, position-specific gap
36 penalties and weight matrix choice. Nucleic Acids Res. 22:4673-4680.
37 """
38
39 # TODO: What happens if CLUSTAL is not the first line of the file?
40
41
42 import re
43
44 from corebio.utils import *
45 from corebio.seq import *
46 from corebio.seq_io import *
47
48 __all__ = ('example', 'names', 'extensions', 'read')
49
50 example = """
51 CLUSTAL W (1.81) multiple sequence alignment
52
53
54 CXCR3_MOUSE --------------------------LENSTSPYDYGENESD-------FSDSPPCPQDF
55 BLR_HUMAN --------------------------LENLEDLF-WELDRLD------NYNDTSLVENH-
56 CXCR1_HUMAN --------------------------MSNITDPQMWDFDDLN-------FTGMPPADEDY
57 CXCR4_MURINE -----------------------------------YTSDN---------YSGSGDYDSNK
58 : : :.. ..
59
60 CXCR3_MOUSE -SL-------NFDRTFLPALYSLLFLLGLLGNGAVAAVLLSQRTALSSTDTFLLHLAVAD
61 BLR_HUMAN --LC-PATMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVAD
62 CXCR1_HUMAN -SPC-MLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALAD
63 CXCR4_MURINE -EPC-RDENVHFNRIFLPTIYFIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVAD
64 :. .: * ::** .::** * :: : * *: : ::*::**
65
66 CXCR3_MOUSE VLLVLTLPLWAVDAA-VQWVFGPGLCKVAGALFNINFYAGAFLLACISFDRYLSIVHATQ
67 BLR_HUMAN LLLVFILPFAVAEGS-VGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVH
68 CXCR1_HUMAN LLFALTLPIWAASKV-NGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATR
69 CXCR4_MURINE LLFVITLPFWAVDAM-ADWYFGKFLCKAVHIIYTVNLYSSVLILAFISLDRYLAIVHATN
70 :*:.: **: ... * :* ***.. : :*:*.. ::** *:.****:****..
71 """
72
73
74
75 names = ("clustal", "clustalw",)
76 extensions = ('aln',)
77
78
79 header_line = re.compile(r'(CLUSTAL.*)$')
80
81 # (sequence_id) (Sequence) (Optional sequence number)
82 seq_line = re.compile(r'(\s*\S+\s+)(\S+)\s*(\d*)$')
83
84 # Saved group includes variable length leading space.
85 # Must consult a seq_line to figure out how long the leading spoace is since
86 # the maximum CLUSTAL ids length (normally 10 characters) can be changed.
87 match_line = re.compile(r'([\s:\.\*]*)$')
88
89
90 def iterseq(fin, alphabet=None):
91 """Iterate over the sequences in the file."""
92 # Default implementation
93 return iter(read(fin, alphabet) )
94
95
96 def read(fin, alphabet=None) :
97 alphabet = Alphabet(alphabet)
98 seq_ids = []
99 seqs = []
100 block_count = 0
101
102
103 for token in _scan(fin):
104 if token.typeof== "begin_block":
105 block_count = 0
106 elif token.typeof == "seq_id":
107 if len(seqs) <= block_count :
108 seq_ids.append(token.data)
109 seqs.append([])
110 elif token.typeof == "seq":
111 if not alphabet.alphabetic(token.data) :
112 raise ValueError(
113 "Character on line: %d not in alphabet: %s : %s" % (
114 token.lineno, alphabet, token.data) )
115 seqs[block_count].append(token.data)
116 block_count +=1
117
118
119 seqs = [ Seq("".join(s), alphabet, name= i) for s,i in zip(seqs,seq_ids)]
120 return SeqList(seqs)
121
122
123 # 1) The word "CLUSTAL" should be the first word on the first line of the file.
124 # (But sometimes isn't.)
125 # 2) The alignment is displayed in blocks of fixed length.
126 # 3) Each line in the block corresponds to one sequence.
127 # 4) Each sequence line starts with a sequence name followed by at least one
128 # space and then the sequence.
129
130 def _scan( fin ):
131 """Scan a clustal format MSA file and yeild tokens.
132 The basic file structure is
133 begin_document
134 header?
135 (begin_block
136 (seq_id seq seq_index?)+
137 match_line?
138 end_block)*
139 end_document
140
141 Usage:
142 for token in scan(clustal_file):
143 do_somthing(token)
144 """
145 header, body, block = range(3)
146
147 yield Token("begin")
148 leader_width = -1
149 state = header
150 for L, line in enumerate(fin):
151 if state==header :
152 if line.isspace() : continue
153 m = header_line.match(line)
154 state = body
155 if m is not None :
156 yield Token("header", m.group() )
157 continue
158 else :
159 raise ValueError("Cannot find required header")
160
161
162 if state == body :
163 if line.isspace() : continue
164 yield Token("begin_block")
165 state = block
166 # fall through to block
167
168 if state == block:
169 if line.isspace() :
170 yield Token("end_block")
171 state = body
172 continue
173
174 m = match_line.match(line)
175 if m is not None :
176 yield Token("match_line", line[leader_width:-1])
177 continue
178
179 m = seq_line.match(line)
180 if m is None:
181 raise ValueError("Parse error on line: %d" % L)
182 leader_width = len(m.group(1))
183 yield Token("seq_id", m.group(1).strip() )
184 yield Token("seq", m.group(2).strip() )
185 if m.group(3) :
186 yield Token("seq_num", m.group(3))
187 continue
188
189 # END state blocks. If I ever get here something has gone terrible wrong
190 raise RuntimeError()
191
192 if state==block:
193 yield Token("end_block")
194 yield Token("end")
195 return
196
197 def write(fout, seqs) :
198 """Write 'seqs' to 'fout' as text in clustal format"""
199 header = "CLUSTAL W (1.81) multiple sequence alignment"
200 name_width = 17
201 seq_width = 60
202
203 print >>fout, header
204 print >>fout
205 print >>fout
206
207 L = 0
208 for s in seqs: L = max(L, len(s))
209
210 for block in range(0, L, seq_width):
211 for s in seqs :
212 start = min(block, len(s))
213 end = min( start+seq_width, len(s))
214 print >>fout, s.name.ljust(name_width),
215 print >>fout, s[start:end]
216 print >>fout
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