Mercurial > repos > devteam > ncbi_blast_plus
annotate tools/ncbi_blast_plus/blastxml_to_tabular.py @ 3:643338ac83c0 draft
Uploaded v0.0.12b, same code but moving folders around to match all my other tools and make future development simpler.
author | peterjc |
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date | Thu, 23 Aug 2012 09:00:40 -0400 |
parents | |
children | 70e7dcbf6573 |
rev | line source |
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3
643338ac83c0
Uploaded v0.0.12b, same code but moving folders around to match all my other tools and make future development simpler.
peterjc
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1 #!/usr/bin/env python |
643338ac83c0
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peterjc
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2 """Convert a BLAST XML file to 12 column tabular output |
643338ac83c0
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peterjc
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3 |
643338ac83c0
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peterjc
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4 Takes three command line options, input BLAST XML filename, output tabular |
643338ac83c0
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peterjc
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5 BLAST filename, output format (std for standard 12 columns, or ext for the |
643338ac83c0
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peterjc
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6 extended 24 columns offered in the BLAST+ wrappers). |
643338ac83c0
Uploaded v0.0.12b, same code but moving folders around to match all my other tools and make future development simpler.
peterjc
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7 |
643338ac83c0
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peterjc
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8 The 12 columns output are 'qseqid sseqid pident length mismatch gapopen qstart |
643338ac83c0
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peterjc
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9 qend sstart send evalue bitscore' or 'std' at the BLAST+ command line, which |
643338ac83c0
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peterjc
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10 mean: |
643338ac83c0
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11 |
643338ac83c0
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12 ====== ========= ============================================ |
643338ac83c0
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13 Column NCBI name Description |
643338ac83c0
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14 ------ --------- -------------------------------------------- |
643338ac83c0
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15 1 qseqid Query Seq-id (ID of your sequence) |
643338ac83c0
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16 2 sseqid Subject Seq-id (ID of the database hit) |
643338ac83c0
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17 3 pident Percentage of identical matches |
643338ac83c0
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18 4 length Alignment length |
643338ac83c0
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19 5 mismatch Number of mismatches |
643338ac83c0
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20 6 gapopen Number of gap openings |
643338ac83c0
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21 7 qstart Start of alignment in query |
643338ac83c0
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22 8 qend End of alignment in query |
643338ac83c0
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peterjc
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23 9 sstart Start of alignment in subject (database hit) |
643338ac83c0
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peterjc
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24 10 send End of alignment in subject (database hit) |
643338ac83c0
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25 11 evalue Expectation value (E-value) |
643338ac83c0
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26 12 bitscore Bit score |
643338ac83c0
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27 ====== ========= ============================================ |
643338ac83c0
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28 |
643338ac83c0
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29 The additional columns offered in the Galaxy BLAST+ wrappers are: |
643338ac83c0
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peterjc
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30 |
643338ac83c0
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peterjc
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31 ====== ============= =========================================== |
643338ac83c0
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peterjc
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32 Column NCBI name Description |
643338ac83c0
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33 ------ ------------- ------------------------------------------- |
643338ac83c0
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34 13 sallseqid All subject Seq-id(s), separated by a ';' |
643338ac83c0
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35 14 score Raw score |
643338ac83c0
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peterjc
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36 15 nident Number of identical matches |
643338ac83c0
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37 16 positive Number of positive-scoring matches |
643338ac83c0
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38 17 gaps Total number of gaps |
643338ac83c0
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39 18 ppos Percentage of positive-scoring matches |
643338ac83c0
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peterjc
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40 19 qframe Query frame |
643338ac83c0
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peterjc
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41 20 sframe Subject frame |
643338ac83c0
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42 21 qseq Aligned part of query sequence |
643338ac83c0
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43 22 sseq Aligned part of subject sequence |
643338ac83c0
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44 23 qlen Query sequence length |
643338ac83c0
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45 24 slen Subject sequence length |
643338ac83c0
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peterjc
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46 ====== ============= =========================================== |
643338ac83c0
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peterjc
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47 |
643338ac83c0
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48 Most of these fields are given explicitly in the XML file, others some like |
643338ac83c0
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49 the percentage identity and the number of gap openings must be calculated. |
643338ac83c0
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peterjc
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50 |
643338ac83c0
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51 Be aware that the sequence in the extended tabular output or XML direct from |
643338ac83c0
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peterjc
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52 BLAST+ may or may not use XXXX masking on regions of low complexity. This |
643338ac83c0
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53 can throw the off the calculation of percentage identity and gap openings. |
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54 [In fact, both BLAST 2.2.24+ and 2.2.25+ have a subtle bug in this regard, |
643338ac83c0
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55 with these numbers changing depending on whether or not the low complexity |
643338ac83c0
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56 filter is used.] |
643338ac83c0
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57 |
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58 This script attempts to produce identical output to what BLAST+ would have done. |
643338ac83c0
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59 However, check this with "diff -b ..." since BLAST+ sometimes includes an extra |
643338ac83c0
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60 space character (probably a bug). |
643338ac83c0
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61 """ |
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62 import sys |
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63 import re |
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64 |
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65 if sys.version_info[:2] >= ( 2, 5 ): |
643338ac83c0
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66 import xml.etree.cElementTree as ElementTree |
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67 else: |
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68 from galaxy import eggs |
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69 import pkg_resources; pkg_resources.require( "elementtree" ) |
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70 from elementtree import ElementTree |
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71 |
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72 def stop_err( msg ): |
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73 sys.stderr.write("%s\n" % msg) |
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74 sys.exit(1) |
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75 |
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76 #Parse Command Line |
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77 try: |
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78 in_file, out_file, out_fmt = sys.argv[1:] |
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79 except: |
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80 stop_err("Expect 3 arguments: input BLAST XML file, output tabular file, out format (std or ext)") |
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81 |
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82 if out_fmt == "std": |
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83 extended = False |
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84 elif out_fmt == "x22": |
643338ac83c0
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85 stop_err("Format argument x22 has been replaced with ext (extended 24 columns)") |
643338ac83c0
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86 elif out_fmt == "ext": |
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87 extended = True |
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88 else: |
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89 stop_err("Format argument should be std (12 column) or ext (extended 24 columns)") |
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90 |
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91 |
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92 # get an iterable |
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93 try: |
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94 context = ElementTree.iterparse(in_file, events=("start", "end")) |
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95 except: |
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96 stop_err("Invalid data format.") |
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97 # turn it into an iterator |
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98 context = iter(context) |
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99 # get the root element |
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100 try: |
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101 event, root = context.next() |
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102 except: |
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103 stop_err( "Invalid data format." ) |
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104 |
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105 |
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106 re_default_query_id = re.compile("^Query_\d+$") |
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107 assert re_default_query_id.match("Query_101") |
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108 assert not re_default_query_id.match("Query_101a") |
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109 assert not re_default_query_id.match("MyQuery_101") |
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110 re_default_subject_id = re.compile("^Subject_\d+$") |
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111 assert re_default_subject_id.match("Subject_1") |
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112 assert not re_default_subject_id.match("Subject_") |
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113 assert not re_default_subject_id.match("Subject_12a") |
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114 assert not re_default_subject_id.match("TheSubject_1") |
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115 |
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116 |
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117 outfile = open(out_file, 'w') |
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118 blast_program = None |
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119 for event, elem in context: |
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120 if event == "end" and elem.tag == "BlastOutput_program": |
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121 blast_program = elem.text |
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122 # for every <Iteration> tag |
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123 if event == "end" and elem.tag == "Iteration": |
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124 #Expecting either this, from BLAST 2.2.25+ using FASTA vs FASTA |
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125 # <Iteration_query-ID>sp|Q9BS26|ERP44_HUMAN</Iteration_query-ID> |
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126 # <Iteration_query-def>Endoplasmic reticulum resident protein 44 OS=Homo sapiens GN=ERP44 PE=1 SV=1</Iteration_query-def> |
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127 # <Iteration_query-len>406</Iteration_query-len> |
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128 # <Iteration_hits></Iteration_hits> |
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129 # |
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130 #Or, from BLAST 2.2.24+ run online |
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131 # <Iteration_query-ID>Query_1</Iteration_query-ID> |
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132 # <Iteration_query-def>Sample</Iteration_query-def> |
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133 # <Iteration_query-len>516</Iteration_query-len> |
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134 # <Iteration_hits>... |
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135 qseqid = elem.findtext("Iteration_query-ID") |
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136 if re_default_query_id.match(qseqid): |
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137 #Place holder ID, take the first word of the query definition |
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138 qseqid = elem.findtext("Iteration_query-def").split(None,1)[0] |
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139 qlen = int(elem.findtext("Iteration_query-len")) |
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140 |
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141 # for every <Hit> within <Iteration> |
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142 for hit in elem.findall("Iteration_hits/Hit"): |
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143 #Expecting either this, |
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144 # <Hit_id>gi|3024260|sp|P56514.1|OPSD_BUFBU</Hit_id> |
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145 # <Hit_def>RecName: Full=Rhodopsin</Hit_def> |
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146 # <Hit_accession>P56514</Hit_accession> |
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147 #or, |
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148 # <Hit_id>Subject_1</Hit_id> |
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149 # <Hit_def>gi|57163783|ref|NP_001009242.1| rhodopsin [Felis catus]</Hit_def> |
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150 # <Hit_accession>Subject_1</Hit_accession> |
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151 # |
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152 #apparently depending on the parse_deflines switch |
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153 sseqid = hit.findtext("Hit_id").split(None,1)[0] |
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154 hit_def = sseqid + " " + hit.findtext("Hit_def") |
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155 if re_default_subject_id.match(sseqid) \ |
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156 and sseqid == hit.findtext("Hit_accession"): |
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157 #Place holder ID, take the first word of the subject definition |
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158 hit_def = hit.findtext("Hit_def") |
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159 sseqid = hit_def.split(None,1)[0] |
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160 # for every <Hsp> within <Hit> |
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161 for hsp in hit.findall("Hit_hsps/Hsp"): |
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162 nident = hsp.findtext("Hsp_identity") |
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163 length = hsp.findtext("Hsp_align-len") |
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164 pident = "%0.2f" % (100*float(nident)/float(length)) |
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165 |
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166 q_seq = hsp.findtext("Hsp_qseq") |
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167 h_seq = hsp.findtext("Hsp_hseq") |
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168 m_seq = hsp.findtext("Hsp_midline") |
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169 assert len(q_seq) == len(h_seq) == len(m_seq) == int(length) |
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170 gapopen = str(len(q_seq.replace('-', ' ').split())-1 + \ |
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171 len(h_seq.replace('-', ' ').split())-1) |
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172 |
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173 mismatch = m_seq.count(' ') + m_seq.count('+') \ |
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174 - q_seq.count('-') - h_seq.count('-') |
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175 #TODO - Remove this alternative mismatch calculation and test |
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176 #once satisifed there are no problems |
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177 expected_mismatch = len(q_seq) \ |
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178 - sum(1 for q,h in zip(q_seq, h_seq) \ |
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179 if q == h or q == "-" or h == "-") |
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180 xx = sum(1 for q,h in zip(q_seq, h_seq) if q=="X" and h=="X") |
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181 if not (expected_mismatch - q_seq.count("X") <= int(mismatch) <= expected_mismatch + xx): |
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182 stop_err("%s vs %s mismatches, expected %i <= %i <= %i" \ |
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183 % (qseqid, sseqid, expected_mismatch - q_seq.count("X"), |
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184 int(mismatch), expected_mismatch)) |
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185 |
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186 #TODO - Remove this alternative identity calculation and test |
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187 #once satisifed there are no problems |
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188 expected_identity = sum(1 for q,h in zip(q_seq, h_seq) if q == h) |
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189 if not (expected_identity - xx <= int(nident) <= expected_identity + q_seq.count("X")): |
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190 stop_err("%s vs %s identities, expected %i <= %i <= %i" \ |
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191 % (qseqid, sseqid, expected_identity, int(nident), |
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192 expected_identity + q_seq.count("X"))) |
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193 |
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194 |
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195 evalue = hsp.findtext("Hsp_evalue") |
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196 if evalue == "0": |
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197 evalue = "0.0" |
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198 else: |
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199 evalue = "%0.0e" % float(evalue) |
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200 |
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201 bitscore = float(hsp.findtext("Hsp_bit-score")) |
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202 if bitscore < 100: |
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203 #Seems to show one decimal place for lower scores |
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204 bitscore = "%0.1f" % bitscore |
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205 else: |
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206 #Note BLAST does not round to nearest int, it truncates |
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207 bitscore = "%i" % bitscore |
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208 |
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209 values = [qseqid, |
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210 sseqid, |
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211 pident, |
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212 length, #hsp.findtext("Hsp_align-len") |
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213 str(mismatch), |
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214 gapopen, |
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215 hsp.findtext("Hsp_query-from"), #qstart, |
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216 hsp.findtext("Hsp_query-to"), #qend, |
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217 hsp.findtext("Hsp_hit-from"), #sstart, |
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218 hsp.findtext("Hsp_hit-to"), #send, |
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219 evalue, #hsp.findtext("Hsp_evalue") in scientific notation |
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220 bitscore, #hsp.findtext("Hsp_bit-score") rounded |
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221 ] |
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222 |
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peterjc
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223 if extended: |
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224 sallseqid = ";".join(name.split(None,1)[0] for name in hit_def.split(">")) |
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225 #print hit_def, "-->", sallseqid |
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226 positive = hsp.findtext("Hsp_positive") |
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227 ppos = "%0.2f" % (100*float(positive)/float(length)) |
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228 qframe = hsp.findtext("Hsp_query-frame") |
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229 sframe = hsp.findtext("Hsp_hit-frame") |
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230 if blast_program == "blastp": |
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231 #Probably a bug in BLASTP that they use 0 or 1 depending on format |
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232 if qframe == "0": qframe = "1" |
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233 if sframe == "0": sframe = "1" |
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234 slen = int(hit.findtext("Hit_len")) |
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235 values.extend([sallseqid, |
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236 hsp.findtext("Hsp_score"), #score, |
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peterjc
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237 nident, |
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238 positive, |
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239 hsp.findtext("Hsp_gaps"), #gaps, |
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peterjc
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240 ppos, |
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peterjc
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241 qframe, |
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peterjc
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242 sframe, |
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243 #NOTE - for blastp, XML shows original seq, tabular uses XXX masking |
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244 q_seq, |
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245 h_seq, |
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246 str(qlen), |
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247 str(slen), |
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248 ]) |
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249 #print "\t".join(values) |
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250 outfile.write("\t".join(values) + "\n") |
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251 # prevents ElementTree from growing large datastructure |
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252 root.clear() |
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253 elem.clear() |
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254 outfile.close() |