Mercurial > repos > dchristiany > data_manager_proteore

annotate data_manager/resource_building.py @ 44:f89f008bf80d draft

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author dchristiany
date Thu, 31 Jan 2019 08:54:10 -0500
parents 3febf3d1139a
children 80fc0b28e227
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1 # -*- coding: utf-8 -*-
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2 """
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3 The purpose of this script is to create source files from different databases to be used in other proteore tools
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4 """
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5
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6 import os, sys, argparse, requests, time, csv, re, json, shutil, zipfile
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7 from io import BytesIO
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8 from zipfile import ZipFile
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9 from galaxy.util.json import from_json_string, to_json_string
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10
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11 #######################################################################################################
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12 # General functions
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13 #######################################################################################################
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14 def unzip(url, output_file):
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15 """
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16 Get a zip file content from a link and unzip
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17 """
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18 content = requests.get(url)
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19 zipfile = ZipFile(BytesIO(content.content))
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20 output_content = ""
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21 output_content += zipfile.open(zipfile.namelist()[0]).read()
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22 output = open(output_file, "w")
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23 output.write(output_content)
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24 output.close()
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25
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26 def _add_data_table_entry(data_manager_dict, data_table_entry,data_table):
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27 data_manager_dict['data_tables'] = data_manager_dict.get('data_tables', {})
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28 data_manager_dict['data_tables'][data_table] = data_manager_dict['data_tables'].get(data_table, [])
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29 data_manager_dict['data_tables'][data_table].append(data_table_entry)
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30 return data_manager_dict
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31
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32 #######################################################################################################
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33 # 1. Human Protein Atlas
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34 # - Normal tissue
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35 # - Pathology
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36 # - Full Atlas
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37 #######################################################################################################
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38 def HPA_sources(data_manager_dict, tissue, target_directory):
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39 if tissue == "HPA_normal_tissue":
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40 tissue_name = "HPA normal tissue"
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41 url = "https://www.proteinatlas.org/download/normal_tissue.tsv.zip"
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42 elif tissue == "HPA_pathology":
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43 tissue_name = "HPA pathology"
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44 url = "https://www.proteinatlas.org/download/pathology.tsv.zip"
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45 elif tissue == "HPA_full_atlas":
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46 tissue_name = "HPA full atlas"
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47 url = "https://www.proteinatlas.org/download/proteinatlas.tsv.zip"
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48
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49 output_file = tissue +"_"+ time.strftime("%d-%m-%Y") + ".tsv"
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50 path = os.path.join(target_directory, output_file)
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51 unzip(url, path) #download and save file
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52 tissue_name = tissue_name + " " + time.strftime("%d/%m/%Y")
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53 tissue_id = tissue_name.replace(" ","_").replace("/","-")
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54
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55 data_table_entry = dict(id=tissue_id, name = tissue_name, value = tissue, path = path)
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56 _add_data_table_entry(data_manager_dict, data_table_entry, "proteore_protein_atlas")
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57
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58
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59 #######################################################################################################
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60 # 2. Peptide Atlas
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61 #######################################################################################################
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62 def peptide_atlas_sources(data_manager_dict, tissue, date, target_directory):
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63 # Define organism_id (here Human) - to be upraded when other organism added to the project
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64 organism_id = "2"
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65 # Extract sample_category_id and output filename
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66 tissue=tissue.split(".")
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67 sample_category_id = tissue[0]
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68 tissue_name = tissue[1]
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69 output_file = tissue_name+"_"+date + ".tsv"
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70
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71 query="https://db.systemsbiology.net/sbeams/cgi/PeptideAtlas/GetProteins?&atlas_build_id="+ \
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72 sample_category_id+"&display_options=ShowAbundances&organism_id="+organism_id+ \
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73 "&redundancy_constraint=4&presence_level_constraint=1%2C2&gene_annotation_level_constraint=leaf\
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74 &QUERY_NAME=AT_GetProteins&action=QUERY&output_mode=tsv&apply_action=QUERY"
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75
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76 with requests.Session() as s:
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77 download = s.get(query)
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78 decoded_content = download.content.decode('utf-8')
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79 cr = csv.reader(decoded_content.splitlines(), delimiter='\t')
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80
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81 uni_dict = build_dictionary(cr)
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82
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83 #columns of data table peptide_atlas
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84 tissue_id = tissue_name+"_"+date
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85 name = tissue_id.replace("-","/").replace("_"," ")
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86 path = os.path.join(target_directory,output_file)
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87
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88 with open(path,"w") as out :
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89 w = csv.writer(out,delimiter='\t')
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90 w.writerow(["Uniprot_AC","nb_obs"])
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91 w.writerows(uni_dict.items())
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92
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93 data_table_entry = dict(id=tissue_id, name=name, value = path, tissue = tissue_name)
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94 _add_data_table_entry(data_manager_dict, data_table_entry, "proteore_peptide_atlas")
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95
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96 #function to count the number of observations by uniprot id
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97 def build_dictionary (csv) :
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98 uni_dict = {}
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99 for line in csv :
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100 if "-" not in line[0] and check_uniprot_access(line[0]) :
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101 if line[0] in uni_dict :
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102 uni_dict[line[0]] += int(line[5])
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103 else :
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104 uni_dict[line[0]] = int(line[5])
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105
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106 return uni_dict
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107
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108 #function to check if an id is an uniprot accession number : return True or False-
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109 def check_uniprot_access (id) :
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110 uniprot_pattern = re.compile("[OPQ][0-9][A-Z0-9]{3}[0-9]|[A-NR-Z][0-9]([A-Z][A-Z0-9]{2}[0-9]){1,2}")
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111 if uniprot_pattern.match(id) :
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112 return True
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113 else :
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114 return False
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115
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116 #######################################################################################################
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117 # 3. ID mapping file
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118 #######################################################################################################
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119 import ftplib, gzip
0
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120 csv.field_size_limit(sys.maxsize) # to handle big files
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121
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122 def id_mapping_sources (data_manager_dict, species, target_directory) :
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123
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124 human = species == "Human"
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125 species_dict = { "Human" : "HUMAN_9606", "Mouse" : "MOUSE_10090", "Rat" : "RAT_10116" }
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126 files=["idmapping_selected.tab.gz","idmapping.dat.gz"]
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127
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128 #header
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129 if human : tab = [["UniProt-AC","UniProt-ID","GeneID","RefSeq","GI","PDB","GO","PIR","MIM","UniGene","Ensembl_Gene","Ensembl_Transcript","Ensembl_Protein","neXtProt","BioGrid","STRING","KEGG"]]
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130 else : tab = [["UniProt-AC","UniProt-ID","GeneID","RefSeq","GI","PDB","GO","PIR","MIM","UniGene","Ensembl_Gene","Ensembl_Transcript","Ensembl_Protein","BioGrid","STRING","KEGG"]]
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131
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132 #print("header ok")
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133
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134 #get selected.tab and keep only ids of interest
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135 selected_tab_file=species_dict[species]+"_"+files[0]
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136 tab_path = download_from_uniprot_ftp(selected_tab_file,target_directory)
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137 with gzip.open(tab_path,"rt") as select :
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138 tab_reader = csv.reader(select,delimiter="\t")
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139 for line in tab_reader :
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140 tab.append([line[i] for i in [0,1,2,3,4,5,6,11,13,14,18,19,20]])
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141 os.remove(tab_path)
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142
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143 #print("selected_tab ok")
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144
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145 """
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146 Supplementary ID to get from HUMAN_9606_idmapping.dat :
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147 -NextProt,BioGrid,STRING,KEGG
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148 """
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149
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150 #there's more id type for human
0
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151 if human : ids = ['neXtProt','BioGrid','STRING','KEGG' ] #ids to get from dat_file
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152 else : ids = ['BioGrid','STRING','KEGG' ]
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153 unidict = {}
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154
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155 #keep only ids of interest in dictionaries
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156 dat_file=species_dict[species]+"_"+files[1]
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157 dat_path = download_from_uniprot_ftp(dat_file,target_directory)
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158 with gzip.open(dat_path,"rt") as dat :
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159 dat_reader = csv.reader(dat,delimiter="\t")
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160 for line in dat_reader :
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161 uniprotID=line[0] #UniProtID as key
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162 id_type=line[1] #ID type of corresponding id, key of sub-dictionnary
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163 cor_id=line[2] #corresponding id
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164 if "-" not in id_type : #we don't keep isoform
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165 if id_type in ids and uniprotID in unidict :
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166 if id_type in unidict[uniprotID] :
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167 unidict[uniprotID][id_type]= ";".join([unidict[uniprotID][id_type],cor_id]) #if there is already a value in the dictionnary
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168 else :
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169 unidict[uniprotID].update({ id_type : cor_id })
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170 elif id_type in ids :
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171 unidict[uniprotID]={id_type : cor_id}
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172 os.remove(dat_path)
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173
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174 #print("dat_file ok")
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175
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176 #add ids from idmapping.dat to the final tab
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177 for line in tab[1:] :
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178 uniprotID=line[0]
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179 if human :
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180 if uniprotID in unidict :
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181 nextprot = access_dictionary(unidict,uniprotID,'neXtProt')
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182 if nextprot != '' : nextprot = clean_nextprot_id(nextprot,line[0])
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183 line.extend([nextprot,access_dictionary(unidict,uniprotID,'BioGrid'),access_dictionary(unidict,uniprotID,'STRING'),
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184 access_dictionary(unidict,uniprotID,'KEGG')])
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185 else :
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186 line.extend(["","","",""])
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187 else :
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188 if uniprotID in unidict :
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189 line.extend([access_dictionary(unidict,uniprotID,'BioGrid'),access_dictionary(unidict,uniprotID,'STRING'),
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190 access_dictionary(unidict,uniprotID,'KEGG')])
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191 else :
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192 line.extend(["","",""])
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193
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194 #print ("tab ok")
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195
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196 #add missing nextprot ID for human
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197 if human :
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198 #build next_dict
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199 nextprot_ids = id_list_from_nextprot_ftp("nextprot_ac_list_all.txt",target_directory)
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200 next_dict = {}
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201 for nextid in nextprot_ids :
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202 next_dict[nextid.replace("NX_","")] = nextid
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203 os.remove(os.path.join(target_directory,"nextprot_ac_list_all.txt"))
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204
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205 #add missing nextprot ID
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206 for line in tab[1:] :
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207 uniprotID=line[0]
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208 nextprotID=line[13]
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209 if nextprotID == '' and uniprotID in next_dict :
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210 line[13]=next_dict[uniprotID]
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211
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212 output_file = species+"_id_mapping_"+ time.strftime("%d-%m-%Y") + ".tsv"
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213 path = os.path.join(target_directory,output_file)
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214
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215 with open(path,"w") as out :
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216 w = csv.writer(out,delimiter='\t')
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217 w.writerows(tab)
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218
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219 name_dict={"Human" : "Homo sapiens", "Mouse" : "Mus musculus", "Rat" : "Rattus norvegicus"}
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220 name = species +" (" + name_dict[species]+" "+time.strftime("%d/%m/%Y")+")"
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221 id = species+"_id_mapping_"+ time.strftime("%d-%m-%Y")
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222
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223 data_table_entry = dict(id=id, name = name, value = species, path = path)
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224 _add_data_table_entry(data_manager_dict, data_table_entry, "proteore_id_mapping")
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225
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226 def download_from_uniprot_ftp(file,target_directory) :
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227 ftp_dir = "pub/databases/uniprot/current_release/knowledgebase/idmapping/by_organism/"
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228 path = os.path.join(target_directory, file)
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229 ftp = ftplib.FTP("ftp.uniprot.org")
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230 ftp.login("anonymous", "anonymous")
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231 ftp.cwd(ftp_dir)
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232 ftp.retrbinary("RETR " + file, open(path, 'wb').write)
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233 ftp.quit()
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234 return (path)
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235
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236 def id_list_from_nextprot_ftp(file,target_directory) :
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237 ftp_dir = "pub/current_release/ac_lists/"
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238 path = os.path.join(target_directory, file)
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239 ftp = ftplib.FTP("ftp.nextprot.org")
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240 ftp.login("anonymous", "anonymous")
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241 ftp.cwd(ftp_dir)
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242 ftp.retrbinary("RETR " + file, open(path, 'wb').write)
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243 ftp.quit()
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244 with open(path,'r') as nextprot_ids :
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245 nextprot_ids = nextprot_ids.read().splitlines()
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246 return (nextprot_ids)
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247
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248 #return '' if there's no value in a dictionary, avoid error
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249 def access_dictionary (dico,key1,key2) :
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250 if key1 in dico :
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251 if key2 in dico[key1] :
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252 return (dico[key1][key2])
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253 else :
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254 return ("")
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255 #print (key2,"not in ",dico,"[",key1,"]")
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256 else :
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257 return ('')
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258
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259 #if there are several nextprot ID for one uniprotID, return the uniprot like ID
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260 def clean_nextprot_id (next_id,uniprotAc) :
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261 if len(next_id.split(";")) > 1 :
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262 tmp = next_id.split(";")
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263 if "NX_"+uniprotAc in tmp :
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264 return ("NX_"+uniprotAc)
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265 else :
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266 return (tmp[1])
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267 else :
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268 return (next_id)
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269
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270
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271 #######################################################################################################
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272 # 4. Build protein interaction maps files
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273 #######################################################################################################
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274
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275 def PPI_ref_files(data_manager_dict, species, interactome, target_directory):
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276
28
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277 species_dict={'Human':'Homo sapiens',"Mouse":"Mus musculus","Rat":"Rattus norvegicus"}
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278
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279 ##BioGRID
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280 if interactome=="biogrid":
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281
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282 tab2_link="https://downloads.thebiogrid.org/Download/BioGRID/Release-Archive/BIOGRID-3.5.167/BIOGRID-ORGANISM-3.5.167.tab2.zip"
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283
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284 #download zip file
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285 r = requests.get(tab2_link)
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286 with open("BioGRID.zip", "wb") as code:
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287 code.write(r.content)
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288
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289 #unzip files
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290 with zipfile.ZipFile("BioGRID.zip", 'r') as zip_ref:
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291 if not os.path.exists("tmp_BioGRID"): os.makedirs("tmp_BioGRID")
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292 zip_ref.extractall("tmp_BioGRID")
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293
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294 #import file of interest and build dictionary
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295 file_path="tmp_BioGRID/BIOGRID-ORGANISM-"+species_dict[species].replace(" ","_")+"-3.5.167.tab2.txt"
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296 with open(file_path,"r") as handle :
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297 tab_file = csv.reader(handle,delimiter="\t")
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298 dico_network = {}
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299 GeneID_index=1
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300 network_cols=[1,2,7,8,11,12,14,18,20]
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301 for line in tab_file :
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302 if line[GeneID_index] not in dico_network:
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303 dico_network[line[GeneID_index]]=[[line[i] for i in network_cols]]
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304 else:
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305 dico_network[line[GeneID_index]].append([line[i] for i in network_cols])
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306
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307 #delete tmp_BioGRID directory
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308 os.remove("BioGRID.zip")
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309 shutil.rmtree("tmp_BioGRID", ignore_errors=True)
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310
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311 #download NCBI2Reactome.txt file and build dictionary
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312 with requests.Session() as s:
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313 r = s.get('https://www.reactome.org/download/current/NCBI2Reactome.txt')
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314 r.encoding ="utf-8"
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315 tab_file = csv.reader(r.content.splitlines(), delimiter='\t')
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316
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317 dico_nodes = {}
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318 uniProt_index=0
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319 pathway_description_index=3
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320 species_index=5
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321 for line in tab_file :
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322 if line[species_index]==species_dict[species]:
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323 if line[uniProt_index] in dico_nodes :
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324 dico_nodes[line[uniProt_index]].append(line[pathway_description_index])
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325 else :
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326 dico_nodes[line[uniProt_index]] = [line[pathway_description_index]]
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327
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328 dico={}
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329 dico['network']=dico_network
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330 dico['nodes']=dico_nodes
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331
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332 ##Bioplex
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333 elif interactome=="bioplex":
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334
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335 with requests.Session() as s:
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336 r = s.get('http://bioplex.hms.harvard.edu/data/BioPlex_interactionList_v4a.tsv')
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337 r = r.content.decode('utf-8')
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338 bioplex = csv.reader(r.splitlines(), delimiter='\t')
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339
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340 dico_network = {}
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341 dico_network["GeneID"]={}
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342 network_geneid_cols=[0,1,4,5,8]
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343 dico_network["UniProt-AC"]={}
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344 network_uniprot_cols=[2,3,4,5,8]
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345 dico_GeneID_to_UniProt = {}
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346 for line in bioplex :
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347 if line[0] not in dico_network["GeneID"]:
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348 dico_network["GeneID"][line[0]]=[[line[i] for i in network_geneid_cols]]
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349 else :
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350 dico_network["GeneID"][line[0]].append([line[i] for i in network_geneid_cols])
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351 if line[1] not in dico_network["UniProt-AC"]:
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352 dico_network["UniProt-AC"][line[2]]=[[line[i] for i in network_uniprot_cols]]
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353 else:
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354 dico_network["UniProt-AC"][line[2]].append([line[i] for i in network_uniprot_cols])
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355 dico_GeneID_to_UniProt[line[0]]=line[2]
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356
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357 with requests.Session() as s:
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358 r = s.get('https://reactome.org/download/current/UniProt2Reactome.txt')
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359 r.encoding ="utf-8"
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360 tab_file = csv.reader(r.content.splitlines(), delimiter='\t')
39
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361
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362 dico_nodes_uniprot = {}
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363 uniProt_index=0
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364 pathway_description_index=3
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365 species_index=5
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366 for line in tab_file :
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367 if line[species_index]==species_dict[species]:
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368 if line[uniProt_index] in dico_nodes_uniprot :
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369 dico_nodes_uniprot[line[uniProt_index]].append(line[pathway_description_index])
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370 else :
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371 dico_nodes_uniprot[line[uniProt_index]] = [line[pathway_description_index]]
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372
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373 with requests.Session() as s:
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374 r = s.get('https://www.reactome.org/download/current/NCBI2Reactome.txt')
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375 r.encoding ="utf-8"
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376 tab_file = csv.reader(r.content.splitlines(), delimiter='\t')
39
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377
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378 dico_nodes_geneid = {}
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379 uniProt_index=0
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380 pathway_description_index=3
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381 species_index=5
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382 for line in tab_file :
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383 if line[species_index]==species_dict[species]:
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384 if line[uniProt_index] in dico_nodes_geneid :
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385 dico_nodes_geneid[line[uniProt_index]].append(line[pathway_description_index])
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386 else :
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387 dico_nodes_geneid[line[uniProt_index]] = [line[pathway_description_index]]
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388
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389 dico={}
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390 dico_nodes={}
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391 dico_nodes['GeneID']=dico_nodes_geneid
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392 dico_nodes['UniProt-AC']=dico_nodes_uniprot
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393 dico['network']=dico_network
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394 dico['nodes']=dico_nodes
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395 dico['convert']=dico_GeneID_to_UniProt
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396
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397 #writing output
42
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398 output_file = species+'_'+interactome+'_'+ time.strftime("%d-%m-%Y") + ".json"
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399 path = os.path.join(target_directory,output_file)
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400 name = species+" ("+species_dict[species]+") "+time.strftime("%d/%m/%Y")
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401 id = species+"_"+interactome+"_"+ time.strftime("%d-%m-%Y")
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402
41
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403 with open(path, 'w') as handle:
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404 json.dump(dico, handle, sort_keys=True)
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405
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406 data_table_entry = dict(id=id, name = name, value = species, path = path)
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407 _add_data_table_entry(data_manager_dict, data_table_entry, "proteore_"+interactome+"_dictionaries")
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408
0
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409
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410 #######################################################################################################
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411 # Main function
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412 #######################################################################################################
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413 def main():
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414 parser = argparse.ArgumentParser()
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415 parser.add_argument("--hpa", metavar = ("HPA_OPTION"))
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416 parser.add_argument("--peptideatlas", metavar=("SAMPLE_CATEGORY_ID"))
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417 parser.add_argument("--id_mapping", metavar = ("ID_MAPPING_SPECIES"))
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418 parser.add_argument("--interactome", metavar = ("PPI"))
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419 parser.add_argument("--species")
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420 parser.add_argument("--date")
0
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421 parser.add_argument("-o", "--output")
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422 args = parser.parse_args()
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423
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424 data_manager_dict = {}
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425 # Extract json file params
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426 filename = args.output
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427 params = from_json_string(open(filename).read())
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428 target_directory = params[ 'output_data' ][0]['extra_files_path']
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429 os.mkdir(target_directory)
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430
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431 ## Download source files from HPA
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432 try:
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433 hpa = args.hpa
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434 except NameError:
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435 hpa = None
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436 if hpa is not None:
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437 #target_directory = "/projet/galaxydev/galaxy/tools/proteore/ProteoRE/tools/resources_building/test-data/"
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438 hpa = hpa.split(",")
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439 for hpa_tissue in hpa:
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440 HPA_sources(data_manager_dict, hpa_tissue, target_directory)
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441
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442 ## Download source file from Peptide Atlas query
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443 try:
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444 peptide_atlas = args.peptideatlas
43
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445 date = args.date
0
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446 except NameError:
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447 peptide_atlas = None
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448 if peptide_atlas is not None:
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449 #target_directory = "/projet/galaxydev/galaxy/tools/proteore/ProteoRE/tools/resources_building/test-data/"
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450 peptide_atlas = peptide_atlas.split(",")
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451 for pa_tissue in peptide_atlas:
43
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452 peptide_atlas_sources(data_manager_dict, pa_tissue, date, target_directory)
0
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453
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454 ## Download ID_mapping source file from Uniprot
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455 try:
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456 id_mapping=args.id_mapping
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457 except NameError:
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458 id_mapping = None
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459 if id_mapping is not None:
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460 id_mapping = id_mapping .split(",")
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461 for species in id_mapping :
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462 id_mapping_sources(data_manager_dict, species, target_directory)
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463
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464 ## Download PPI ref files from biogrid/bioplex/humap
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465 try:
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466 interactome=args.interactome
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467 species=args.species
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468 except NameError:
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469 interactome=None
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470 species=None
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471 if interactome is not None and species is not None:
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472 PPI_ref_files(data_manager_dict, species, interactome, target_directory)
0
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473
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474 #save info to json file
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475 filename = args.output
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476 open(filename, 'wb').write(to_json_string(data_manager_dict))
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477
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478 if __name__ == "__main__":
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479 main()