annotate dante.py @ 16:0e820310d4dc draft

Uploaded
author petr-novak
date Wed, 04 Sep 2019 06:45:18 -0400
parents 3151a72a6671
children 039c45c01b47
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1 #!/usr/bin/env python3
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2
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3 import numpy as np
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4 import subprocess
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5 import math
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6 import time
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7 from operator import itemgetter
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8 from collections import Counter
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9 from itertools import groupby
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10 import os
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11 import re
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12 import configuration
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13 from tempfile import NamedTemporaryFile
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14 import sys
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15 import warnings
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16 import shutil
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17 from collections import defaultdict
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18
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19 np.set_printoptions(threshold=sys.maxsize)
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20
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21 def alignment_scoring():
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22 ''' Create hash table for alignment similarity counting: for every
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23 combination of aminoacids in alignment assign score from protein
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24 scoring matrix defined in configuration file '''
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25 score_dict = {}
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26 with open(configuration.SC_MATRIX) as smatrix:
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27 count = 1
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28 for line in smatrix:
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29 if not line.startswith("#"):
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30 if count == 1:
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31 aa_all = line.rstrip().replace(" ", "")
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32 else:
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33 count_aa = 1
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34 line = list(filter(None, line.rstrip().split(" ")))
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35 for aa in aa_all:
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36 score_dict["{}{}".format(line[0], aa)] = line[count_aa]
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37 count_aa += 1
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38 count += 1
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39 return score_dict
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40
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41
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42 def characterize_fasta(QUERY, WIN_DOM):
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43 ''' Find the sequences, their lengths, starts, ends and if
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44 they exceed the window '''
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45 with open(QUERY) as query:
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46 headers = []
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47 fasta_lengths = []
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48 seq_starts = []
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49 seq_ends = []
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50 fasta_chunk_len = 0
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51 count_line = 1
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52 for line in query:
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53 line = line.rstrip()
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54 if line.startswith(">"):
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55 headers.append(line.rstrip())
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56 fasta_lengths.append(fasta_chunk_len)
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57 fasta_chunk_len = 0
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58 seq_starts.append(count_line + 1)
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59 seq_ends.append(count_line - 1)
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60 else:
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61 fasta_chunk_len += len(line)
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62 count_line += 1
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63 seq_ends.append(count_line)
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64 seq_ends = seq_ends[1:]
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65 fasta_lengths.append(fasta_chunk_len)
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66 fasta_lengths = fasta_lengths[1:]
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67 # control if there are correct (unique) names for individual seqs:
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68 # LASTAL takes seqs IDs till the first space which can then create problems with ambiguous records
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69 if len(headers) > len(set([header.split(" ")[0] for header in headers
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70 ])):
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71 raise NameError(
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72 '''Sequences in multifasta format are not named correctly:
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73 seq IDs (before the first space) are the same''')
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74
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75 above_win = [idx
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76 for idx, value in enumerate(fasta_lengths) if value > WIN_DOM]
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77 below_win = [idx
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78 for idx, value in enumerate(fasta_lengths)
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79 if value <= WIN_DOM]
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80 lens_above_win = np.array(fasta_lengths)[above_win]
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81 return headers, above_win, below_win, lens_above_win, seq_starts, seq_ends
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82
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83
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84 def split_fasta(QUERY, WIN_DOM, step, headers, above_win, below_win,
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85 lens_above_win, seq_starts, seq_ends):
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86 ''' Create temporary file containing all sequences - the ones that exceed
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87 the window are cut with a set overlap (greater than domain size with a reserve) '''
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88 with open(QUERY, "r") as query:
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89 count_fasta_divided = 0
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90 count_fasta_not_divided = 0
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91 ntf = NamedTemporaryFile(delete=False)
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92 divided = np.array(headers)[above_win]
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93 row_length = configuration.FASTA_LINE
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94 for line in query:
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95 line = line.rstrip()
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96 if line.startswith(">") and line in divided:
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97 stop_line = seq_ends[above_win[
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98 count_fasta_divided]] - seq_starts[above_win[
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99 count_fasta_divided]] + 1
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100 count_line = 0
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101 whole_seq = []
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102 for line2 in query:
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103 whole_seq.append(line2.rstrip())
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104 count_line += 1
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105 if count_line == stop_line:
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106 break
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107 whole_seq = "".join(whole_seq)
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108 ## create list of starting positions for individual parts of a seq with a step given by a window and overlap
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109 windows_starts = list(range(0, lens_above_win[
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110 count_fasta_divided], step))
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111 ## create list of ending positions (starting pos + window), the last element is the whole seq length
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112 windows_ends = [
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113 x + WIN_DOM
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114 if x + WIN_DOM < lens_above_win[count_fasta_divided] else
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115 lens_above_win[count_fasta_divided] for x in windows_starts
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116 ]
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117 count_part = 1
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118 for start_part, end_part in zip(windows_starts, windows_ends):
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119 seq_part = whole_seq[start_part:end_part]
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120 if count_part == len(windows_starts):
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121 ntf.write("{}_DANTE_PART{}_LAST:{}-{}\n{}\n".format(
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122 line.split(" ")[0], count_part, start_part + 1,
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123 end_part, "\n".join([seq_part[i:i + row_length]
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124 for i in range(0, len(
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125 seq_part), row_length)
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126 ])).encode("utf-8"))
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127 else:
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128 ntf.write("{}_DANTE_PART{}:{}-{}\n{}\n".format(
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129 line.split(" ")[0], count_part, start_part + 1,
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130 end_part, "\n".join([seq_part[i:i + row_length]
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131 for i in range(0, len(
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132 seq_part), row_length)
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133 ])).encode("utf-8"))
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134 count_part += 1
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135 count_fasta_divided += 1
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136 elif line.startswith(">") and line not in divided:
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137 length_seq = seq_ends[below_win[
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138 count_fasta_not_divided]] - seq_starts[below_win[
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139 count_fasta_not_divided]] + 1
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140 ntf.write("{}\n{}".format(line, "".join([query.readline(
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141 ) for x in range(length_seq)])).encode("utf-8"))
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142 count_fasta_not_divided += 1
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143 query_temp = ntf.name
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144 ntf.close()
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145 return query_temp
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146
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147
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148 def domain_annotation(elements, CLASSIFICATION):
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149 ''' Assign protein domain to each hit from protein database '''
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150 domains = []
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151 annotations = []
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152 with open(CLASSIFICATION, "r") as cl_tbl:
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153 annotation = {}
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154 for line in cl_tbl:
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155 record = line.rstrip().split("\t")
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156 annotation[record[0]] = record[1:]
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157 for i in range(len(elements)):
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158 domains.append(elements[i].split("__")[0].split("-")[1])
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159 element_name = "__".join(elements[i].split("__")[1:])
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160 if element_name in annotation.keys():
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161 annotations.append("|".join([elements[i].split("__")[0].split("-")[
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162 1], ("|".join(annotation[element_name]))]))
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163 else:
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164 annotations.append("unknown|unknown")
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165 return annotations
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166
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167
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168 def hits_processing(seq_len, start, end, strand):
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169 ''' Gain hits intervals separately for forward and reverse strand '''
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170 reverse_strand_idx = np.where(strand == "-")[0]
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171 if not reverse_strand_idx.any():
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172 start_pos_plus = start + 1
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173 end_pos_plus = end
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174 regions_plus = list(zip(start_pos_plus, end_pos_plus))
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175 regions_minus = []
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176 else:
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177 reverse_strand_idx = reverse_strand_idx[0]
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178 start_pos_plus = start[0:reverse_strand_idx] + 1
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179 end_pos_plus = end[0:reverse_strand_idx]
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180 start_pos_minus = seq_len[0] - end[reverse_strand_idx:] + 1
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181 end_pos_minus = seq_len[0] - start[reverse_strand_idx:]
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182 regions_plus = list(zip(start_pos_plus, end_pos_plus))
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183 regions_minus = list(zip(start_pos_minus, end_pos_minus))
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184 return reverse_strand_idx, regions_plus, regions_minus
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185
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186
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187 def overlapping_regions(input_data):
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188 ''' Join all overlapping intervals(hits) to clusters (potential domains),
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189 get list of start-end positions of individual hits within the interval,
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petr-novak
parents:
diff changeset
190 list of minimus and maximums as well as the indices in the original
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petr-novak
parents:
diff changeset
191 sequence_hits structure for the hits belonging to the same clusters '''
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petr-novak
parents:
diff changeset
192 if input_data:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
193 sorted_idx, sorted_data = zip(*sorted(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
194 [(index, data) for index, data in enumerate(input_data)],
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
195 key=itemgetter(1)))
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petr-novak
parents:
diff changeset
196 merged_ends = input_data[sorted_idx[0]][1]
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petr-novak
parents:
diff changeset
197 intervals = []
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petr-novak
parents:
diff changeset
198 data = []
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petr-novak
parents:
diff changeset
199 output_intervals = []
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petr-novak
parents:
diff changeset
200 output_data = []
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petr-novak
parents:
diff changeset
201 for i, j in zip(sorted_idx, sorted_data):
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petr-novak
parents:
diff changeset
202 if input_data[i][0] < merged_ends:
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petr-novak
parents:
diff changeset
203 merged_ends = max(input_data[i][1], merged_ends)
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petr-novak
parents:
diff changeset
204 intervals.append(i)
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petr-novak
parents:
diff changeset
205 data.append(j)
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petr-novak
parents:
diff changeset
206 else:
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petr-novak
parents:
diff changeset
207 output_intervals.append(intervals)
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petr-novak
parents:
diff changeset
208 output_data.append(data)
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petr-novak
parents:
diff changeset
209 intervals = []
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petr-novak
parents:
diff changeset
210 data = []
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petr-novak
parents:
diff changeset
211 intervals.append(i)
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petr-novak
parents:
diff changeset
212 data.append(j)
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petr-novak
parents:
diff changeset
213 merged_ends = input_data[i][1]
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petr-novak
parents:
diff changeset
214 output_intervals.append(intervals)
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petr-novak
parents:
diff changeset
215 output_data.append(data)
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petr-novak
parents:
diff changeset
216 mins = [x[0][0] for x in output_data]
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petr-novak
parents:
diff changeset
217 maxs = [max(x, key=itemgetter(1))[1] for x in output_data]
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petr-novak
parents:
diff changeset
218 else:
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petr-novak
parents:
diff changeset
219 mins = []
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petr-novak
parents:
diff changeset
220 maxs = []
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petr-novak
parents:
diff changeset
221 output_intervals = []
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petr-novak
parents:
diff changeset
222 output_data = []
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petr-novak
parents:
diff changeset
223 return mins, maxs, output_data, output_intervals
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petr-novak
parents:
diff changeset
224
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petr-novak
parents:
diff changeset
225
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petr-novak
parents:
diff changeset
226 def annotations_dict(annotations):
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petr-novak
parents:
diff changeset
227 ''' Hash table where annotations of the hits within a clusters are the keys.
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petr-novak
parents:
diff changeset
228 Each annotation has serial number assigned which indexes the row in the score_table '''
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petr-novak
parents:
diff changeset
229 classes_dict = {classes: idx
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petr-novak
parents:
diff changeset
230 for idx, classes in enumerate(set(annotations))}
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petr-novak
parents:
diff changeset
231 return classes_dict
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petr-novak
parents:
diff changeset
232
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petr-novak
parents:
diff changeset
233
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petr-novak
parents:
diff changeset
234 def score_table(mins, maxs, data, annotations, scores, CLASSIFICATION):
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petr-novak
parents:
diff changeset
235 ''' Score table is created based on the annotations occurance in the cluster.
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petr-novak
parents:
diff changeset
236 Matrix axis y corresponds to individual annotations (indexed according to classes_dict),
10
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petr-novak
parents: 5
diff changeset
237 axis x represents positions of analyzed seq in a given cluster.
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petr-novak
parents: 5
diff changeset
238 For every hit within cluster, array of scores on the corresponding position
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petr-novak
parents: 5
diff changeset
239 is recorded to the table in case if the score on certain position is so far the highest
0
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petr-novak
parents:
diff changeset
240 for the certain position and certain annotation '''
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petr-novak
parents:
diff changeset
241 classes_dict = annotations_dict(annotations)
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petr-novak
parents:
diff changeset
242 score_matrix = np.zeros((len(classes_dict), maxs - mins + 1), dtype=int)
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petr-novak
parents:
diff changeset
243 count = 0
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petr-novak
parents:
diff changeset
244 for item in annotations:
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petr-novak
parents:
diff changeset
245 saved_scores = score_matrix[classes_dict[item], data[count][0] - mins:
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petr-novak
parents:
diff changeset
246 data[count][1] - mins + 1]
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petr-novak
parents:
diff changeset
247 new_scores = [scores[count]] * len(saved_scores)
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petr-novak
parents:
diff changeset
248 score_matrix[classes_dict[item], data[count][0] - mins:data[count][
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petr-novak
parents:
diff changeset
249 1] - mins + 1] = [max(*pos_score)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
250 for pos_score in zip(saved_scores, new_scores)]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
251 count += 1
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petr-novak
parents:
diff changeset
252 return score_matrix, classes_dict
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petr-novak
parents:
diff changeset
253
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petr-novak
parents:
diff changeset
254
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petr-novak
parents:
diff changeset
255 def score_matrix_evaluation(score_matrix, classes_dict, THRESHOLD_SCORE):
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petr-novak
parents:
diff changeset
256 ''' Score matrix is evaluated based on each position.
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petr-novak
parents:
diff changeset
257 For every position the list of annotations with a score which reaches
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petr-novak
parents:
diff changeset
258 certain percentage of the overal best score of the cluster are stored '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
259 ann_per_reg = []
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petr-novak
parents:
diff changeset
260 overal_best_score_reg = max((score_matrix.max(axis=1)))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
261 for position in score_matrix.T:
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petr-novak
parents:
diff changeset
262 ## score threshold calculated as a percentage of the OVERALL best score in the cluster
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petr-novak
parents:
diff changeset
263 threshold = overal_best_score_reg * THRESHOLD_SCORE / 100
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
264 above_th = [idx
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
265 for idx, score in enumerate(position)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
266 if position[idx] >= threshold]
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petr-novak
parents:
diff changeset
267 ## select unique annotations in one position that are above threshold
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petr-novak
parents:
diff changeset
268 ann_per_pos = list(set(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
269 [key for key, value in classes_dict.items() if value in above_th]))
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petr-novak
parents:
diff changeset
270 ann_per_reg.append(ann_per_pos)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
271 return ann_per_reg
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petr-novak
parents:
diff changeset
272
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petr-novak
parents:
diff changeset
273
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petr-novak
parents:
diff changeset
274 def group_annot_regs(ann_per_reg):
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petr-novak
parents:
diff changeset
275 ''' Get list of domains, annotations, longest common annotations and
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
276 counts of positions with certain annotation per regions '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
277 ## tranform list of lists (potential multiple annotations for every position ) to flat list of all annotations
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petr-novak
parents:
diff changeset
278 all_annotations = [item for sublist in ann_per_reg for item in sublist]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
279 unique_annotations = list(set(all_annotations))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
280 ann_pos_counts = [all_annotations.count(x) for x in unique_annotations]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
281 unique_annotations = list(set(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
282 [item for sublist in ann_per_reg for item in sublist]))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
283 domain_type = list(set([annotation.split("|")[0]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
284 for annotation in unique_annotations]))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
285 classification_list = [annotation.split("|")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
286 for annotation in unique_annotations]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
287 ann_substring = "|".join(os.path.commonprefix(classification_list))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
288 domain_type = "/".join(domain_type)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
289 return domain_type, ann_substring, unique_annotations, ann_pos_counts
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
290
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
291
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
292 def best_score(scores, region):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
293 ''' From overlapping intervals take the one with the highest score '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
294 ## if more hits have the same best score take only the first one
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
295 best_idx = region[np.where(scores == max(scores))[0][0]]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
296 best_idx_reg = np.where(scores == max(scores))[0][0]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
297 return best_idx, best_idx_reg
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
298
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
299
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
300 def create_gff3(domain_type, ann_substring, unique_annotations, ann_pos_counts,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
301 dom_start, dom_end, step, best_idx, annotation_best,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
302 db_name_best, db_starts_best, db_ends_best, strand, score,
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
303 seq_id, db_seq, query_seq, domain_size, positions, gff, consensus):
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
304 ''' Record obtained information about domain corresponding to individual cluster to common gff file '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
305 best_start = positions[best_idx][0]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
306 best_end = positions[best_idx][1]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
307 best_score = score[best_idx]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
308 ## proportion of length of the best hit to the whole region length found by base
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
309 length_proportion = int((best_end - best_start + 1) /
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
310 (dom_end - dom_start + 1) * 100)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
311 db_seq_best = db_seq[best_idx]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
312 query_seq_best = query_seq[best_idx]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
313 domain_size_best = domain_size[best_idx]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
314 [percent_ident, align_similarity, relat_align_len, relat_interrupt,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
315 db_len_proportion
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
316 ] = filter_params(db_seq_best, query_seq_best, domain_size_best)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
317 ann_substring = "|".join(ann_substring.split("|")[1:])
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
318 annotation_best = "|".join([db_name_best] + annotation_best.split("|")[1:])
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
319 if "DANTE_PART" in seq_id:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
320 part = int(seq_id.split("DANTE_PART")[1].split(":")[0].split("_")[0])
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
321 dom_start = dom_start + (part - 1) * step
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
322 dom_end = dom_end + (part - 1) * step
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
323 best_start = best_start + (part - 1) * step
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
324 best_end = best_end + (part - 1) * step
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
325 if ann_substring is '':
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
326 ann_substring = "NONE(Annotations from different classes)"
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
327 if len(unique_annotations) > 1:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
328 unique_annotations = ",".join(["{}[{}bp]".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
329 ann, pos) for ann, pos in zip(unique_annotations, ann_pos_counts)])
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
330 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
331 unique_annotations = unique_annotations[0]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
332 if __name__ == '__main__':
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
333 SOURCE = configuration.SOURCE_DANTE
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
334 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
335 SOURCE = configuration.SOURCE_PROFREP
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
336 if "/" in domain_type:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
337 gff.write(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
338 "{}\t{}\t{}\t{}\t{}\t.\t{}\t{}\tName={};Final_Classification=Ambiguous_domain;Region_Hits_Classifications_={}\n".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
339 seq_id, SOURCE, configuration.DOMAINS_FEATURE, dom_start,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
340 dom_end, strand, configuration.PHASE, domain_type,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
341 unique_annotations))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
342 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
343 gff.write(
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
344 "{}\t{}\t{}\t{}\t{}\t{}\t{}\t{}\tName={};Final_Classification={};Region_Hits_Classifications={};Best_Hit={}:{}-{}[{}percent];Best_Hit_DB_Pos={}:{}of{};DB_Seq={};Region_Seq={};Query_Seq={};Identity={};Similarity={};Relat_Length={};Relat_Interruptions={};Hit_to_DB_Length={}\n".format(
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
345 seq_id, SOURCE, configuration.DOMAINS_FEATURE, dom_start,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
346 dom_end, best_score, strand, configuration.PHASE, domain_type,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
347 ann_substring, unique_annotations, annotation_best, best_start,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
348 best_end, length_proportion, db_starts_best, db_ends_best,
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
349 domain_size_best, db_seq_best, consensus, query_seq_best, percent_ident,
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
350 align_similarity, relat_align_len, relat_interrupt,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
351 db_len_proportion))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
352
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
353
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
354 def filter_params(db, query, protein_len):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
355 ''' Calculate basic statistics of the quality of the alignment '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
356 score_dict = alignment_scoring()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
357 num_ident = 0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
358 count_interrupt = 0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
359 count_similarity = 0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
360 alignment_len = 0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
361 for i, j in zip(db.upper(), query.upper()):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
362 if i == j and i != "X":
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
363 num_ident += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
364 if j == "/" or j == "\\" or j == "*":
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
365 count_interrupt += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
366 if (i.isalpha() or i == "*") and (j.isalpha() or j == "*"):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
367 if int(score_dict["{}{}".format(i, j)]) > 0:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
368 count_similarity += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
369 ## gapless alignment length proportional to the domain protein length
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
370 relat_align_len = round((len(db) - db.count("-")) / protein_len, 3)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
371 ## proportional identical bases (except of X) to al.length
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
372 align_identity = round(num_ident / len(db), 2)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
373 ## proportional count of positive scores from scoring matrix to al. length
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
374 align_similarity = round(count_similarity / len(db), 2)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
375 ## number of interruptions per 100 bp
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
376 relat_interrupt = round(count_interrupt / math.ceil((len(query) / 100)), 2)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
377 ## Proportion of alignment to the original length of protein domain from database (indels included)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
378 db_len_proportion = round(len(db) / protein_len, 2)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
379 return align_identity, align_similarity, relat_align_len, relat_interrupt, db_len_proportion
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
380
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
381
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
382 def line_generator(tab_pipe, maf_pipe, start):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
383 ''' Yield individual lines of LASTAL stdout for single sequence '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
384 if hasattr(line_generator, "dom"):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
385 seq_id = line_generator.dom.split("\t")[6]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
386 yield line_generator.dom.encode("utf-8")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
387 del line_generator.dom
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
388 line_tab = ""
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
389 for line_tab in tab_pipe:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
390 line_tab = line_tab.decode("utf-8")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
391 if not line_tab.startswith('#'):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
392 if start:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
393 if not ('seq_id' in locals() and
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
394 seq_id != line_tab.split("\t")[6]):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
395 seq_id = line_tab.split("\t")[6]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
396 start = False
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
397 line_maf = [maf_pipe.readline() for line_count in range(4)]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
398 db_seq = line_maf[1].decode("utf-8").rstrip().split(" ")[-1]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
399 alignment_seq = line_maf[2].decode("utf-8").rstrip().split(" ")[-1]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
400 line = "{}\t{}\t{}".format(line_tab, db_seq, alignment_seq)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
401 line_id = line.split("\t")[6]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
402 if seq_id != line_id:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
403 line_generator.dom = line
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
404 return
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
405 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
406 yield line.encode("utf-8")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
407 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
408 maf_pipe.readline()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
409 if line_tab == "":
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
410 raise RuntimeError
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
411 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
412 return
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
413
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
414
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
415 def get_version(path, LAST_DB):
5
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
416 '''Return version is run from git repository '''
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
417 try:
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
418 branch = subprocess.check_output("git rev-parse --abbrev-ref HEAD",
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
419 shell=True,
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
420 cwd=path).decode('ascii').strip()
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
421 shorthash = subprocess.check_output("git log --pretty=format:'%h' -n 1 ",
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
422 shell=True,
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
423 cwd=path).decode('ascii').strip()
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
424 revcount = len(subprocess.check_output("git log --oneline",
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
425 shell=True,
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
426 cwd=path).decode('ascii').split())
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
427 version_string = (
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
428 "##-----------------------------------------------\n"
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
429 "##PIPELINE VERSION : "
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
430 "{branch}-rv-{revcount}({shorthash})\n"
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
431 "##PROTEIN DATABASE VERSION : {PD}\n"
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
432 "##-----------------------------------------------\n").format(
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
433 branch=branch,
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
434 shorthash=shorthash,
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
435 revcount=revcount,
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
436 PD=os.path.basename(LAST_DB))
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
437 except:
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
438 version_string = (
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
439 "##-----------------------------------------------\n"
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
440 "##PROTEIN DATABASE VERSION : {PD}\n"
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
441 "##-----------------------------------------------\n").format(
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
442 PD=os.path.basename(LAST_DB)
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
443 )
a38efa4937d7 Uploaded
petr-novak
parents: 0
diff changeset
444
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
445 return version_string
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
446
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
447
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
448 def write_info(dom_gff_tmp, version_string):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
449 dom_gff_tmp.write("{}\n".format(configuration.HEADER_GFF))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
450 dom_gff_tmp.write(version_string)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
451
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
452
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
453 def domain_search(QUERY, LAST_DB, CLASSIFICATION, OUTPUT_DOMAIN,
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
454 THRESHOLD_SCORE, WIN_DOM, OVERLAP_DOM, SCORING_MATRIX):
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
455 ''' Search for protein domains using our protein database and external tool LAST,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
456 stdout is parsed in real time and hits for a single sequence undergo further processing
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
457 - tabular format(TAB) to get info about position, score, orientation
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
458 - MAF format to gain alignment and original sequence
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
459 '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
460
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
461 step = WIN_DOM - OVERLAP_DOM
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
462 [headers, above_win, below_win, lens_above_win, seq_starts, seq_ends
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
463 ] = characterize_fasta(QUERY, WIN_DOM)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
464 query_temp = split_fasta(QUERY, WIN_DOM, step, headers, above_win,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
465 below_win, lens_above_win, seq_starts, seq_ends)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
466
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
467 ## TAB output contains all the alignment scores, positions, strands...
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
468 lastal_columns = {
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
469 "BL80" : ("score, name_db, start_db, al_size_db, strand_db,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
470 " seq_size_db, name_q, start_q, al_size_q, strand_q, seq_size_q,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
471 " block1, block2, block3, db_seq, q_seq"),
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
472 "BL62" : ("score, name_db, start_db, al_size_db, strand_db,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
473 " seq_size_db, name_q, start_q, al_size_q, strand_q,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
474 " seq_size_q, block1, block2, block3, db_seq, q_seq"),
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
475 "MIQS" : ("score, name_db, start_db, al_size_db, strand_db,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
476 " seq_size_db, name_q, start_q, al_size_q, strand_q,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
477 " seq_size_q, block1, db_seq, q_seq"),
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
478 }
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
479 tab = subprocess.Popen(
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
480 "lastal -F15 {} {} -L 10 -m 70 -p {} -e 80 -f TAB".format(LAST_DB,
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
481 query_temp,
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
482 SCORING_MATRIX),
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
483 stdout=subprocess.PIPE,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
484 shell=True)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
485 ## MAF output contains alignment sequences
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
486 maf = subprocess.Popen(
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
487 "lastal -F15 {} {} -L 10 -m 70 -p {} -e 80 -f MAF".format(LAST_DB,
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
488 query_temp,
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
489 SCORING_MATRIX),
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
490 stdout=subprocess.PIPE,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
491 shell=True)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
492
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
493 tab_pipe = tab.stdout
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
494 maf_pipe = maf.stdout
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
495 maf_pipe.readline()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
496
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
497 seq_ids = []
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
498 dom_tmp = NamedTemporaryFile(delete=False)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
499 with open(dom_tmp.name, "w") as dom_gff_tmp:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
500 path = os.path.dirname(os.path.realpath(__file__))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
501 version_string = get_version(path, LAST_DB)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
502 write_info(dom_gff_tmp, version_string)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
503 gff = open(dom_tmp.name, "a")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
504 start = True
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
505 while True:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
506 try:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
507 with warnings.catch_warnings():
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
508 warnings.simplefilter("ignore")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
509 sequence_hits = np.genfromtxt(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
510 line_generator(tab_pipe, maf_pipe, start),
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
511 names=lastal_columns[SCORING_MATRIX],
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
512 usecols=("score, name_q, start_q, al_size_q,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
513 " strand_q, seq_size_q, name_db, db_seq,"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
514 " q_seq, seq_size_db, start_db, al_size_db"),
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
515 dtype=None,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
516 comments=None)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
517 except RuntimeError:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
518 break
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
519 ## if there are no domains found
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
520 if sequence_hits.size is 0:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
521 gff.write("##NO DOMAINS")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
522 return [], [], [], []
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
523
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
524 ############# PARSING LASTAL OUTPUT ############################
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
525 sequence_hits = np.atleast_1d(sequence_hits)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
526 score = sequence_hits['score'].astype("int")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
527 seq_id = sequence_hits['name_q'][0].astype("str")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
528 start_hit = sequence_hits['start_q'].astype("int")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
529 end_hit = start_hit + sequence_hits['al_size_q'].astype("int")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
530 strand = sequence_hits['strand_q'].astype("str")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
531 seq_len = sequence_hits['seq_size_q'].astype("int")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
532 domain_db = sequence_hits['name_db'].astype("str")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
533 db_seq = sequence_hits['db_seq'].astype("str")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
534 query_seq = sequence_hits['q_seq'].astype("str")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
535 domain_size = sequence_hits['seq_size_db'].astype("int")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
536 db_start = sequence_hits['start_db'].astype("int") + 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
537 db_end = sequence_hits['start_db'].astype("int") + sequence_hits[
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
538 'al_size_db'].astype("int")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
539
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
540 [reverse_strand_idx, positions_plus, positions_minus
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
541 ] = hits_processing(seq_len, start_hit, end_hit, strand)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
542 strand_gff = "+"
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
543 [mins_plus, maxs_plus, data_plus, indices_plus
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
544 ] = overlapping_regions(positions_plus)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
545 [mins_minus, maxs_minus, data_minus, indices_minus
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
546 ] = overlapping_regions(positions_minus)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
547 positions = positions_plus + positions_minus
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
548 indices_overal = indices_plus + [x + reverse_strand_idx
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
549 for x in indices_minus]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
550 mins = mins_plus + mins_minus
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
551 maxs = maxs_plus + maxs_minus
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
552 data = data_plus + data_minus
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
553 ## process every region (cluster) of overlapping hits sequentially
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
554 count_region = 0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
555 for region in indices_overal:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
556 db_names = domain_db[np.array(region)]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
557 db_starts = db_start[np.array(region)]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
558 db_ends = db_end[np.array(region)]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
559 scores = score[np.array(region)]
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
560 regions_above_threshold = [
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
561 region[i]
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
562 for i, _ in enumerate(region)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
563 if max(scores) / 100 * THRESHOLD_SCORE < scores[i]
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
564 ]
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
565 ## sort by score first:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
566 consensus = get_full_translation(
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
567 translation_alignments(
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
568 query_seq=sortby(query_seq[regions_above_threshold], score[regions_above_threshold], True),
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
569 start_hit=sortby(start_hit[regions_above_threshold], score[regions_above_threshold], True),
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
570 end_hit=sortby(end_hit[regions_above_threshold], score[regions_above_threshold], True))
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
571 )
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
572
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
573 annotations = domain_annotation(db_names, CLASSIFICATION)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
574 [score_matrix, classes_dict] = score_table(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
575 mins[count_region], maxs[count_region], data[count_region],
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
576 annotations, scores, CLASSIFICATION)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
577 ann_per_reg = score_matrix_evaluation(score_matrix, classes_dict,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
578 THRESHOLD_SCORE)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
579 [domain_type, ann_substring, unique_annotations, ann_pos_counts
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
580 ] = group_annot_regs(ann_per_reg)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
581 [best_idx, best_idx_reg] = best_score(scores, region)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
582 annotation_best = annotations[best_idx_reg]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
583 db_name_best = db_names[best_idx_reg]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
584 db_starts_best = db_starts[best_idx_reg]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
585 db_ends_best = db_ends[best_idx_reg]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
586 if count_region == len(indices_plus):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
587 strand_gff = "-"
14
a6c55d1bdb6c Uploaded
petr-novak
parents: 10
diff changeset
588 if strand_gff == "+":
15
3151a72a6671 Uploaded
petr-novak
parents: 14
diff changeset
589 feature_start = min(start_hit[regions_above_threshold]) + 1
14
a6c55d1bdb6c Uploaded
petr-novak
parents: 10
diff changeset
590 feature_end = max(end_hit[regions_above_threshold])
a6c55d1bdb6c Uploaded
petr-novak
parents: 10
diff changeset
591 else:
15
3151a72a6671 Uploaded
petr-novak
parents: 14
diff changeset
592 feature_end = seq_len[region][0] - min(start_hit[regions_above_threshold])
14
a6c55d1bdb6c Uploaded
petr-novak
parents: 10
diff changeset
593 feature_start = seq_len[region][0] - max(end_hit[regions_above_threshold]) + 1
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
594 create_gff3(domain_type, ann_substring, unique_annotations,
14
a6c55d1bdb6c Uploaded
petr-novak
parents: 10
diff changeset
595 ann_pos_counts, feature_start,feature_end,
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
596 step, best_idx, annotation_best, db_name_best,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
597 db_starts_best, db_ends_best, strand_gff, score,
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
598 seq_id, db_seq, query_seq, domain_size, positions, gff, consensus)
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
599 count_region += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
600 seq_ids.append(seq_id)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
601 os.unlink(query_temp)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
602 gff.close()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
603 dom_tmp.close()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
604 ## if any sequence from input data was split into windows, merge and adjust the data from individual windows
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
605 if any("DANTE_PART" in x for x in seq_ids):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
606 adjust_gff(OUTPUT_DOMAIN, dom_tmp.name, WIN_DOM, OVERLAP_DOM, step)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
607 ## otherwise use the temporary output as the final domains gff
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
608 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
609 shutil.copy2(dom_tmp.name, OUTPUT_DOMAIN)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
610 os.unlink(dom_tmp.name)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
611
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
612 def sortby(a, by, reverse=False):
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
613 ''' sort according values in the by list '''
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
614 a_sorted = [i[0] for i in
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
615 sorted(
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
616 zip(a, by),
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
617 key=lambda i: i[1],
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
618 reverse=reverse
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
619 )]
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
620 return a_sorted
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
621
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
622
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
623 def a2nnn(s):
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
624 s1 = "".join([c if c in ['/', '\\'] else c + c + c
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
625 for c in s.replace("-", "")])
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
626 # collapse frameshifts (/)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
627 s2 = re.sub("[a-zA-Z*]{2}//[a-zA-Z*]{2}", "//", s1)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
628 s3 = re.sub("[a-zA-Z*]/[a-zA-Z*]", "/", s2)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
629 return (s3)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
630
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
631
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
632
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
633 def rle(s):
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
634 '''run length encoding but max is set to 3 (codon)'''
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
635 prev = ""
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
636 count = 1
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
637 char = []
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
638 length = []
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
639 L = 0
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
640 for n in s:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
641 if n == prev and count < (3 - L):
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
642 count += 1
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
643 else:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
644 char.append(prev)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
645 length.append(count)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
646 L = 1 if prev == "/" else 0
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
647 prev = n
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
648 count = 1
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
649 char.append(prev)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
650 length.append(count)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
651 sequence = char[1:]
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
652 return sequence, length[1:]
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
653
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
654 def get_full_translation(translations):
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
655 '''get one full length translation from multiple partial
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
656 aligned translation '''
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
657 # find minimal set of alignements
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
658 minimal_set = []
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
659 not_filled_prev = len(translations[0])
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
660 for s in translations:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
661 minimal_set.append(s)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
662 # check defined position - is there only '-' character?
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
663 not_filled = sum([set(i) == {"-"} for i in zip(*minimal_set)])
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
664 if not_filled == 0:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
665 break
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
666 if not_filled == not_filled_prev:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
667 # last added sequence did not improve coverage - remove it.
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
668 minimal_set.pop()
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
669 not_filled_prev = not_filled
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
670 # merge translations
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
671 final_translation = minimal_set[0]
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
672 # record positions of joins to correct frameshifts reportings
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
673 position_of_joins = set()
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
674 position_of_joins_rle = set()
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
675 if len(minimal_set) > 1: # translation must be merged
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
676 for s in minimal_set[1:]:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
677 s1 = re.search(r"-\w", final_translation)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
678 s2 = re.search(r"\w-", final_translation)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
679 if s1:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
680 position_of_joins.add(s1.start())
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
681 if s2:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
682 position_of_joins.add((s2.end() - 1))
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
683 final_translation = "".join(
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
684 [b if a == "-" else a for a, b in zip(final_translation, s)])
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
685 translation_rle = rle(final_translation)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
686 cumsumed_positions = np.cumsum(translation_rle[1])
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
687 for p in position_of_joins:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
688 position_of_joins_rle.add(sum(cumsumed_positions <= p))
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
689 # insert /\ when necessary
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
690 for p in position_of_joins_rle:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
691 if translation_rle[0][p] not in ['/',"//","\\", "\\\\"]:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
692 if translation_rle[1][p] == 2:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
693 translation_rle[0][p] = translation_rle[0][p] + "/"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
694 if translation_rle[1][p] == 1:
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
695 translation_rle[0][p] = "\\"
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
696 consensus = "".join(translation_rle[0])
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
697 return consensus
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
698
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
699
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
700 # helper function for debugging
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
701 def translation_alignments(query_seq, start_hit, end_hit):
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
702 pstart = min(start_hit)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
703 pend = max(end_hit)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
704 nnn = list()
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
705 for s, start, end in zip(query_seq, start_hit, end_hit):
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
706 nnn.append("-" * (start - pstart) + a2nnn(s) + "-" * (pend - end))
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
707 return (nnn)
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
708
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
709
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
710
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
711 def adjust_gff(OUTPUT_DOMAIN, gff, WIN_DOM, OVERLAP_DOM, step):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
712 ''' Original gff file is adjusted in case of containing cut parts
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
713 - for consecutive sequences overlap is divided to half with first half
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
714 of records(domains) belonging to the first sequence and second to the following one.
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
715 Duplicate domains going through the middle of the overlap are removed.
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
716 First and the last part (marked as LAST) of a certain sequence are
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
717 handled separately as the are overlapped from one side only '''
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
718
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
719 seq_id_all = []
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
720 class_dict = defaultdict(int)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
721 seen = set()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
722 with open(OUTPUT_DOMAIN, "w") as adjusted_gff:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
723 with open(gff, "r") as primary_gff:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
724 start = True
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
725 for line in primary_gff:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
726 if line.startswith("#"):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
727 adjusted_gff.write(line)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
728 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
729 split_line = line.split("\t")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
730 classification = split_line[-1].split(";")[1].split("=")[1]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
731 if start:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
732 seq_id_all.append(split_line[0].split("_DANTE_PART")[
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
733 0])
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
734 start = False
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
735 seq_id = split_line[0].split("_DANTE_PART")[0]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
736 if "DANTE_PART" in line:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
737 line_without_id = "\t".join(split_line[1:])
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
738 part = int(split_line[0].split("_DANTE_PART")[1].split(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
739 ":")[0].split("_")[0])
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
740 if seq_id != seq_id_all[-1]:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
741 seq_id_all.append(seq_id)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
742
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
743 ## first part of the sequence
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
744 if part == 1:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
745 cut_end = WIN_DOM - OVERLAP_DOM / 2
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
746 if int(split_line[3]) <= cut_end <= int(split_line[
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
747 4]):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
748 if line_without_id not in seen:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
749 adjusted_gff.write("{}\t{}".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
750 seq_id, line_without_id))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
751 class_dict[classification] += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
752 seen.add(line_without_id)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
753 elif int(split_line[4]) < cut_end:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
754 adjusted_gff.write("{}\t{}".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
755 seq_id, line_without_id))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
756 class_dict[classification] += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
757
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
758 ## last part of the sequence
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
759 elif "LAST" in split_line[0]:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
760 cut_start = OVERLAP_DOM / 2 + (part - 1) * step
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
761 if int(split_line[3]) <= cut_start <= int(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
762 split_line[4]):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
763 if line_without_id not in seen:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
764 adjusted_gff.write("{}\t{}".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
765 seq_id, line_without_id))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
766 class_dict[classification] += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
767 seen.add(line_without_id)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
768 elif int(split_line[3]) > cut_start:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
769 adjusted_gff.write("{}\t{}".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
770 seq_id, line_without_id))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
771 class_dict[classification] += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
772
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
773 ## middle part of the sequence
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
774 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
775 cut_start = OVERLAP_DOM / 2 + (part - 1) * step
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
776 cut_end = WIN_DOM - OVERLAP_DOM / 2 + (part -
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
777 1) * step
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
778 if int(split_line[3]) <= cut_start <= int(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
779 split_line[4]) or int(split_line[
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
780 3]) <= cut_end <= int(split_line[4]):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
781 if line_without_id not in seen:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
782 adjusted_gff.write("{}\t{}".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
783 seq_id, line_without_id))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
784 class_dict[classification] += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
785 seen.add(line_without_id)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
786 elif int(split_line[3]) > cut_start and int(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
787 split_line[4]) < cut_end:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
788 adjusted_gff.write("{}\t{}".format(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
789 seq_id, line_without_id))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
790 class_dict[classification] += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
791 ## not divived
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
792 else:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
793 if seq_id != seq_id_all[-1]:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
794 seq_id_all.append(seq_id)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
795 adjusted_gff.write(line)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
796 class_dict[classification] += 1
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
797
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
798
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
799 def main(args):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
800
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
801 t = time.time()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
802
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
803 QUERY = args.query
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
804 LAST_DB = args.protein_database
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
805 CLASSIFICATION = args.classification
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
806 OUTPUT_DOMAIN = args.domain_gff
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
807 NEW_LDB = args.new_ldb
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
808 OUTPUT_DIR = args.output_dir
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
809 THRESHOLD_SCORE = args.threshold_score
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
810 WIN_DOM = args.win_dom
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
811 OVERLAP_DOM = args.overlap_dom
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
812 SCORING_MATRIX = args.scoring_matrix
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
813 configuration.SC_MATRIX = configuration.SC_MATRIX_SKELETON.format(SCORING_MATRIX)
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
814
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
815 if OUTPUT_DOMAIN is None:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
816 OUTPUT_DOMAIN = configuration.DOMAINS_GFF
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
817 if os.path.isdir(LAST_DB):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
818 LAST_DB = os.path.join(LAST_DB, configuration.LAST_DB_FILE)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
819 if os.path.isdir(CLASSIFICATION):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
820 CLASSIFICATION = os.path.join(CLASSIFICATION, configuration.CLASS_FILE)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
821
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
822 if NEW_LDB:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
823 subprocess.call("lastdb -p -cR01 {} {}".format(LAST_DB, LAST_DB),
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
824 shell=True)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
825
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
826 if OUTPUT_DIR and not os.path.exists(OUTPUT_DIR):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
827 os.makedirs(OUTPUT_DIR)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
828
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
829 if not os.path.isabs(OUTPUT_DOMAIN):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
830 if OUTPUT_DIR is None:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
831 OUTPUT_DIR = configuration.TMP
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
832 if not os.path.exists(OUTPUT_DIR):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
833 os.makedirs(OUTPUT_DIR)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
834 OUTPUT_DOMAIN = os.path.join(OUTPUT_DIR,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
835 os.path.basename(OUTPUT_DOMAIN))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
836 domain_search(QUERY, LAST_DB, CLASSIFICATION, OUTPUT_DOMAIN,
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
837 THRESHOLD_SCORE, WIN_DOM, OVERLAP_DOM, SCORING_MATRIX)
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
838
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
839 print("ELAPSED_TIME_DOMAINS = {} s".format(time.time() - t))
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
840
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
841
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
842 if __name__ == "__main__":
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
843 import argparse
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
844 from argparse import RawDescriptionHelpFormatter
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
845
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
846 class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
847 argparse.RawDescriptionHelpFormatter):
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
848 pass
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
849
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
850 parser = argparse.ArgumentParser(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
851 description=
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
852 '''Script performs similarity search on given DNA sequence(s) in (multi)fasta against our protein domains database of all Transposable element for certain group of organisms (Viridiplantae or Metazoans). Domains are subsequently annotated and classified - in case certain domain has multiple annotations assigned, classifation is derived from the common classification level of all of them. Domains search is accomplished engaging LASTAL alignment tool.
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
853
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
854 DEPENDENCIES:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
855 - python 3.4 or higher with packages:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
856 -numpy
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
857 - lastal 744 or higher [http://last.cbrc.jp/]
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
858 - configuration.py module
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
859
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
860 EXAMPLE OF USAGE:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
861
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
862 ./protein_domains_pd.py -q PATH_TO_INPUT_SEQ -pdb PATH_TO_PROTEIN_DB -cs PATH_TO_CLASSIFICATION_FILE
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
863
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
864 When running for the first time with a new database use -nld option allowing lastal to create indexed database files:
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
865
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
866 -nld True
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
867
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
868 ''',
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
869 epilog="""""",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
870 formatter_class=CustomFormatter)
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
871
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
872 requiredNamed = parser.add_argument_group('required named arguments')
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
873 requiredNamed.add_argument(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
874 "-q",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
875 "--query",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
876 type=str,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
877 required=True,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
878 help=
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
879 'input DNA sequence to search for protein domains in a fasta format. Multifasta format allowed.')
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
880 requiredNamed.add_argument('-pdb',
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
881 "--protein_database",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
882 type=str,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
883 required=True,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
884 help='protein domains database file')
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
885 requiredNamed.add_argument('-cs',
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
886 '--classification',
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
887 type=str,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
888 required=True,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
889 help='protein domains classification file')
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
890 parser.add_argument("-oug",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
891 "--domain_gff",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
892 type=str,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
893 help="output domains gff format")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
894 parser.add_argument(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
895 "-nld",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
896 "--new_ldb",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
897 type=str,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
898 default=False,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
899 help=
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
900 "create indexed database files for lastal in case of working with new protein db")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
901 parser.add_argument(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
902 "-dir",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
903 "--output_dir",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
904 type=str,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
905 help="specify if you want to change the output directory")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
906 parser.add_argument(
10
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
907 "-M",
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
908 "--scoring_matrix",
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
909 type=str,
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
910 default="BL80",
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
911 choices=['BL80', 'BL62', 'MIQS'],
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
912 help="specify scoring matrix to use for similarity search (BL80, BL62, MIQS)")
d0431a839606 Uploaded
petr-novak
parents: 5
diff changeset
913 parser.add_argument(
0
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
914 "-thsc",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
915 "--threshold_score",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
916 type=int,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
917 default=80,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
918 help=
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
919 "percentage of the best score in the cluster to be tolerated when assigning annotations per base")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
920 parser.add_argument(
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
921 "-wd",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
922 "--win_dom",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
923 type=int,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
924 default=10000000,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
925 help="window to process large input sequences sequentially")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
926 parser.add_argument("-od",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
927 "--overlap_dom",
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
928 type=int,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
929 default=10000,
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
930 help="overlap of sequences in two consecutive windows")
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
931
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
932 args = parser.parse_args()
77d9f2ecb28a Uploaded
petr-novak
parents:
diff changeset
933 main(args)