Mercurial > repos > cpt > cpt_putative_usp
annotate generate-putative-usp.py @ 4:da1be0114755 draft default tip
planemo upload commit 471832a126aa25d903becae9a074a6b7b1ff7092-dirty
author | cpt |
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date | Fri, 20 Sep 2024 04:02:16 +0000 |
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1 import argparse |
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2 from cpt import OrfFinder |
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3 from spaninFuncs import * |
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4 import re |
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5 |
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6 """ |
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7 ## Note |
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8 NOTE : This was made after I made the i-spanin and o-spanin tools, so there might be some methods that are used differently |
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9 and overall some 'differently' written code... |
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10 """ |
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11 |
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12 if __name__ == "__main__": |
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13 parser = argparse.ArgumentParser( |
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14 description="Get putative protein candidates for u-spanins" |
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15 ) |
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16 |
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17 parser.add_argument( |
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18 "fasta_file", type=argparse.FileType("r"), help="Fasta file" |
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19 ) # the "input" argument |
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20 |
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21 parser.add_argument( |
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22 "--strand", |
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23 dest="strand", |
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24 choices=("both", "forward", "reverse"), |
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25 default="both", |
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26 help="select strand", |
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27 ) # Selection of +, -, or both strands |
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28 |
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29 parser.add_argument( |
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30 "--table", dest="table", default=11, help="NCBI Translation table", type=int |
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31 ) # Uses "default" NCBI codon table. This should always (afaik) be what we want... |
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32 |
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33 parser.add_argument( |
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34 "-t", |
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35 "--ftype", |
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36 dest="ftype", |
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37 choices=("CDS", "ORF"), |
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38 default="ORF", |
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39 help="Find ORF or CDSs", |
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40 ) # "functional type(?)" --> Finds ORF or CDS, for this we want just the ORF |
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41 |
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42 parser.add_argument( |
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43 "-e", |
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44 "--ends", |
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45 dest="ends", |
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46 choices=("open", "closed"), |
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47 default="closed", |
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48 help="Open or closed. Closed ensures start/stop codons are present", |
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49 ) # includes the start and stop codon |
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50 |
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51 parser.add_argument( |
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52 "-m", |
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53 "--mode", |
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54 dest="mode", |
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55 choices=("all", "top", "one"), |
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56 default="all", # I think we want this to JUST be all...nearly always |
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57 help="Output all ORFs/CDSs from sequence, all ORFs/CDSs with max length, or first with maximum length", |
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58 ) |
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59 |
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60 parser.add_argument( |
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61 "--switch", |
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62 dest="switch", |
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63 default="all", |
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64 help="switch between ALL putative usps, or a range. If not all, insert a range of two integers separated by a colon (:). Eg: 1234:4321", |
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65 ) |
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66 |
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67 parser.add_argument( |
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68 "--usp_on", |
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69 dest="out_usp_nuc", |
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70 type=argparse.FileType("w"), |
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71 default="_out_usp.fna", |
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72 help="Output nucleotide sequences, FASTA", |
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73 ) |
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74 parser.add_argument( |
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75 "--usp_op", |
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76 dest="out_usp_prot", |
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77 type=argparse.FileType("w"), |
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78 default="_out_usp.fa", |
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79 help="Output protein sequences, FASTA", |
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80 ) |
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81 parser.add_argument( |
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82 "--usp_ob", |
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83 dest="out_usp_bed", |
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84 type=argparse.FileType("w"), |
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85 default="_out_usp.bed", |
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86 help="Output BED file", |
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87 ) |
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88 parser.add_argument( |
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89 "--usp_og", |
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90 dest="out_usp_gff3", |
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91 type=argparse.FileType("w"), |
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92 default="_out_usp.gff3", |
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93 help="Output GFF3 file", |
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94 ) |
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95 parser.add_argument( |
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96 "--putative_usp", |
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97 dest="putative_usp_fa", |
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98 type=argparse.FileType("w"), |
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99 default="_putative_usp.fa", |
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100 help="Output of putative FASTA file", |
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101 ) |
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102 parser.add_argument( |
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103 "--summary_usp_txt", |
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104 dest="summary_usp_txt", |
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105 type=argparse.FileType("w"), |
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106 default="_summary_usp.txt", |
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107 help="Summary statistics on putative o-spanins", |
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108 ) |
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109 parser.add_argument( |
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110 "--putative_usp_gff", |
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111 dest="putative_usp_gff", |
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112 type=argparse.FileType("w"), |
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113 default="_putative_usp.gff3", |
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114 help="gff3 output for putative o-spanins", |
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115 ) |
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116 |
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117 parser.add_argument( |
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118 "--min_size", type=int, default=100, help="minimum size of peptide" |
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119 ) |
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120 parser.add_argument( |
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121 "--max_size", type=int, default=200, help="maximum size of peptide" |
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122 ) |
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123 parser.add_argument( |
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124 "--lipo_min_start", type=int, default=10, help="minimum start site of lipobox" |
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125 ) |
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126 parser.add_argument( |
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127 "--lipo_max_start", type=int, default=30, help="maximum end site of lipobox" |
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128 ) |
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129 parser.add_argument( |
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130 "--min_lipo_after", |
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131 type=int, |
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132 default=60, |
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133 help="minumum amount of residues after lipobox", |
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134 ) |
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135 parser.add_argument( |
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136 "--max_lipo_after", |
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137 type=int, |
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138 default=160, |
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139 help="maximum amount of residues after lipobox", |
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140 ) |
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141 parser.add_argument( |
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142 "--tmd_min_start", type=int, default=75, help="minumum start site of TMD" |
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143 ) |
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144 parser.add_argument( |
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145 "--tmd_max_start", type=int, default=200, help="maximum end site of TMD" |
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146 ) |
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147 parser.add_argument( |
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148 "--tmd_min_size", type=int, default=15, help="minimum size of TMD" |
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149 ) |
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150 parser.add_argument( |
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151 "--tmd_max_size", type=int, default=25, help="maximum size of TMD" |
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152 ) |
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153 |
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154 args = parser.parse_args() |
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155 |
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156 the_args = vars(parser.parse_args()) |
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157 |
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158 ### usp output, naive ORF finding: |
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159 usps = OrfFinder(args.table, args.ftype, args.ends, args.min_size, args.strand) |
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160 usps.locate( |
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161 args.fasta_file, |
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162 args.out_usp_nuc, |
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163 args.out_usp_prot, |
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164 args.out_usp_bed, |
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165 args.out_usp_gff3, |
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166 ) |
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167 |
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168 args.fasta_file.close() |
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169 args.fasta_file = open(args.fasta_file.name, "r") |
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170 args.out_usp_prot.close() |
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171 args.out_usp_prot = open(args.out_usp_prot.name, "r") |
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172 |
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173 pairs = tuple_fasta(fasta_file=args.out_usp_prot) |
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174 have_lipo = [] |
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175 |
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176 for each_pair in pairs: |
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177 if len(each_pair[1]) <= args.max_size: |
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178 try: |
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179 have_lipo += find_lipobox( |
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180 pair=each_pair, |
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181 minimum=args.lipo_min_start, |
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182 maximum=args.lipo_max_start, |
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183 min_after=args.min_lipo_after, |
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184 max_after=args.max_lipo_after, |
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185 ) |
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186 except (IndexError, TypeError): |
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187 continue |
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188 |
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189 # print(len(have_lipo)) |
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190 # print(have_lipo) |
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191 |
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192 have_tmd_and_lipo = [] |
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193 # print(args.tmd_min_start) |
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194 # print(args.tmd_max_start) |
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195 # print(args.tmd_min_size) |
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196 # print(args.tmd_max_size) |
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197 |
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198 for each_pair in have_lipo: |
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199 try: |
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200 have_tmd_and_lipo += find_tmd( |
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201 pair=each_pair, |
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202 minimum=args.tmd_min_start, |
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203 maximum=args.tmd_max_start, |
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204 TMDmin=args.tmd_min_size, |
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205 TMDmax=args.tmd_max_size, |
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206 ) |
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207 except (IndexError, TypeError): |
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208 continue |
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209 |
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210 # print(len(have_tmd_and_lipo)) |
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211 # print(have_tmd_and_lipo) |
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212 |
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213 if args.switch == "all": |
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214 pass |
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215 else: |
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216 range_of = args.switch |
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217 range_of = re.search(("[\d]+:[\d]+"), range_of).group(0) |
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218 start = int(range_of.split(":")[0]) |
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219 end = int(range_of.split(":")[1]) |
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220 have_lipo = parse_a_range(pair=have_tmd_and_lipo, start=start, end=end) |
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221 |
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222 total_have_tmd_and_lipo = len(have_tmd_and_lipo) |
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223 |
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224 ORF = [] |
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225 length = [] |
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226 candidate_dict = {k: v for k, v in have_tmd_and_lipo} |
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227 with args.putative_usp_fa as f: |
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228 for desc, s in candidate_dict.items(): |
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229 f.write(">" + str(desc)) |
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230 f.write("\n" + lineWrapper(str(s).replace("*", "")) + "\n") |
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231 length.append(len(s)) |
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232 ORF.append(desc) |
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233 #### Extra statistics |
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234 args.out_usp_prot.close() |
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235 all_orfs = open(args.out_usp_prot.name, "r") |
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236 all_isps = open(args.putative_usp_fa.name, "r") |
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237 # record = SeqIO.read(all_orfs, "fasta") |
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238 # print(len(record)) |
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239 n = 0 |
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240 for line in all_orfs: |
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241 if line.startswith(">"): |
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242 n += 1 |
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243 all_orfs_counts = n |
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244 |
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245 c = 0 |
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246 for line in all_isps: |
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247 if line.startswith(">"): |
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248 c += 1 |
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249 all_isps_counts = c |
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250 |
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251 if ORF: |
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252 bot_size = min(length) |
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253 top_size = max(length) |
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254 avg = (sum(length)) / total_have_tmd_and_lipo |
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255 n = len(length) |
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256 if n == 0: |
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257 raise Exception("no median for empty data") |
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258 if n % 2 == 1: |
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259 med = length[n // 2] |
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260 else: |
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261 i = n // 2 |
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262 med = (length[i - 1] + length[i]) / 2 |
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263 with args.summary_usp_txt as f: |
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264 f.write("total potential u-spanins: " + str(total_have_tmd_and_lipo) + "\n") |
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265 f.write("average length (AA): " + str(avg) + "\n") |
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266 f.write("median length (AA): " + str(med) + "\n") |
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267 f.write("maximum orf in size (AA): " + str(top_size) + "\n") |
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268 f.write("minimum orf in size (AA): " + str(bot_size) + "\n") |
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269 f.write("ratio of isps found from naive orfs: " + str(c) + "/" + str(n)) |
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270 |
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271 args.putative_usp_fa = open(args.putative_usp_fa.name, "r") |
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272 gff_data = prep_a_gff3( |
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273 fa=args.putative_usp_fa, spanin_type="usp", org=args.fasta_file |
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274 ) |
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275 write_gff3(data=gff_data, output=args.putative_usp_gff) |
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276 else: |
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277 with args.summary_usp_txt as f: |
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278 f.write("No Candidate USPs found") |
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279 if have_lipo: |
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280 f.write("\nLipoboxes were found here:\n") |
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281 for each_lipo in have_lipo: |
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282 f.write(">" + str(each_lipo[0])) |
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283 f.write("\n" + lineWrapper(each_lipo[1].replace("*", "")) + "\n") |
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284 else: |
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285 f.write("\nNo Lipobox(es) were found within search restraints") |