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view blast2tsv.py @ 2:735a21808348 draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/virAnnot commit ab5e1189217b6ed5f1c5d7c5ff6b79b6a4c18cff
author | iuc |
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date | Wed, 21 Aug 2024 13:13:50 +0000 |
parents | c9dac9b2e01c |
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#!/usr/bin/env python3 # Name: blast2tsv # Author(s): Sebastien Theil, Marie Lefebvre - INRAE # Aims: Convert blast xml output to tsv and add taxonomy import argparse import csv import logging as log import os from Bio import Entrez from Bio import SeqIO from Bio.Blast import NCBIXML from ete3 import NCBITaxa ncbi = NCBITaxa() def main(): options = _set_options() _set_log_level(options.verbosity) hits = _read_xml(options) _write_tsv(options, hits) def _guess_database(accession): """Guess the correct database for querying based off the format of the accession""" if accession.isdigit(): db = 'taxonomy' else: database_mappings_refseq = {'AC': 'nuccore', 'NC': 'nuccore', 'NG': 'nuccore', 'NT': 'nuccore', 'NW': 'nuccore', 'NZ': 'nuccore', 'AP': 'protein', 'NP': 'protein', 'YP': 'protein', 'XP': 'protein', 'WP': 'protein', 'OX': 'nuccore'} try: db = database_mappings_refseq[accession[0:2]] except KeyError: db = 'nuccore' log.warning("DB not found for " + accession + ". Set to nuccore.") return db def _read_xml(options): """ Parse XML blast results file Keep only the first hit """ log.info("Read XML file.") results = open(options.xml_file, 'r') records = NCBIXML.parse(results) xml_results = {} for blast_record in records: for aln in blast_record.alignments: hit_count = 1 for hit in aln.hsps: hsp = {} if hit_count == 1: first_hit_frame = hit.frame[1] if len(hit.frame) > 0 else 0 # strand cumul_hit_identity = hit.identities if hit.identities else 0 cumul_hit_score = hit.bits # hit score cumul_hit_evalue = hit.expect # evalue cumul_hit_length = hit.align_length if hit.align_length is not None else 0 hit_count = hit_count + 1 else: # all HSPs in different strand than 1st HSPs will be discarded. if (first_hit_frame > 0 and hit.frame[1] > 0) or (first_hit_frame < 0 and hit.frame[1] < 0): cumul_hit_identity = cumul_hit_identity + hit.identities cumul_hit_length = cumul_hit_length + hit.align_length cumul_hit_evalue = cumul_hit_evalue + hit.expect cumul_hit_score = cumul_hit_score + hit.bits hit_count = hit_count + 1 if hit_count == 1: final_hit_count = hit_count elif hit_count > 1: final_hit_count = hit_count - 1 hsp["evalue"] = cumul_hit_evalue / final_hit_count # The smaller the E-value, the better the match hsp["query_id"] = blast_record.query # or query_id hsp["query_length"] = blast_record.query_length # length of the query hsp["accession"] = aln.accession.replace("ref|", "") hsp["description"] = aln.hit_def hsp["hit_length"] = aln.length # length of the hit hsp["hsp_length"] = hit.align_length # length of the hsp alignment hsp["queryOverlap"] = _get_overlap_value(options.algo, hsp, 'hsp', hsp["query_length"])[0] if cumul_hit_length == 0: hsp["percentIdentity"] = round(cumul_hit_identity, 1) # identity percentage else: hsp["percentIdentity"] = round(cumul_hit_identity / cumul_hit_length * 100, 1) # identity percentage hsp["score"] = cumul_hit_score # The higher the bit-score, the better the sequence similarity hsp["num_hsps"] = final_hit_count hsp["hit_cumul_length"] = cumul_hit_length hsp["hitOverlap"] = _get_overlap_value(options.algo, hsp, 'hit', hsp["query_length"])[1] db = _guess_database(hsp["accession"]) try: handle = Entrez.esummary(db=db, id=hsp["accession"]) taxid = str(int(Entrez.read(handle)[0]['TaxId'])) handle.close() log.info("Taxid found for " + hsp["accession"]) lineage = ncbi.get_lineage(taxid) names = ncbi.get_taxid_translator(lineage) ordered = [names[tid] for tid in lineage] taxonomy = ordered[1:] hsp["tax_id"] = taxid hsp["taxonomy"] = ';'.join(taxonomy) hsp["organism"] = taxonomy[-1] except RuntimeError: hsp["tax_id"] = "" hsp["taxonomy"] = "" hsp["organism"] = "" log.warning(f"RuntimeError - Taxid not found for {hsp['accession']}") except Exception as err: hsp["tax_id"] = "" hsp["taxonomy"] = "" hsp["organism"] = "" log.warning(f"Taxid not found for {hsp['accession']}. The error is {err}") if hsp["evalue"] <= options.max_evalue and hsp["queryOverlap"] >= options.min_qov and \ hsp["hitOverlap"] >= options.min_hov and hsp["score"] >= options.min_score: xml_results[hsp["query_id"]] = hsp else: xml_results[hsp["query_id"]] = [hsp["query_length"]] return xml_results def _get_overlap_value(algo, hsp, type, qlength): """ Set hsp or hit overlap values for hit and query Return array [query_overlap, hit_overlap] """ if type == 'hsp': q_align_len = qlength h_align_len = hsp["hsp_length"] else: q_align_len = qlength h_align_len = hsp["hit_cumul_length"] if algo == 'BLASTX': if q_align_len: query_overlap = (q_align_len * 3 / q_align_len) * 100 if hsp["hit_length"]: hit_overlap = (h_align_len / hsp["hit_length"]) * 100 elif algo == 'TBLASTN': if q_align_len: query_overlap = (q_align_len / q_align_len) * 100 if hsp["hit_length"]: hit_overlap = (h_align_len * 3 / hsp["hit_length"]) * 100 elif algo == 'TBLASTX': if q_align_len: query_overlap = (q_align_len * 3 / hsp["hsp_length"]) * 100 if hsp["hit_length"]: hit_overlap = (h_align_len * 3 / hsp["hit_length"]) * 100 else: if q_align_len: query_overlap = (q_align_len / q_align_len) * 100 if hsp["hit_length"]: hit_overlap = (h_align_len / hsp["hit_length"]) * 100 if query_overlap is None: query_overlap = 0 if query_overlap > 100: query_overlap = 100 if 'hit_overlap' not in locals(): hit_overlap = 0 if hit_overlap > 100: hit_overlap = 100 return [round(query_overlap, 0), round(hit_overlap, 0)] def _write_tsv(options, hits): """ Write output """ # get a list of contig without corresponding number of mapped reads if options.rn_file is not None: with open(options.rn_file) as rn: rows = (line.split('\t') for line in rn) rn_list = {row[0]: row[1:] for row in rows} fasta = SeqIO.to_dict(SeqIO.parse(open(options.fasta_file), 'fasta')) headers = "#algo\tquery_id\tnb_reads\tquery_length\taccession\tdescription\torganism\tpercentIdentity\tnb_hsps\tqueryOverlap\thitOverlap\tevalue\tscore\ttax_id\ttaxonomy\tsequence\n" if not os.path.exists(options.output): os.mkdir(options.output) tsv_file = options.output + "/blast2tsv_output.tab" log.info("Write output file: " + tsv_file) f = open(tsv_file, "w+") f.write(headers) for h in hits: if options.rn_file is not None: read_nb = ''.join(rn_list[h]).replace("\n", "") else: read_nb = '' if len(hits[h]) > 1: f.write(options.algo + "\t" + h + "\t" + read_nb + "\t" + str(hits[h]["query_length"]) + "\t") f.write(hits[h]["accession"] + "\t" + hits[h]["description"] + "\t") f.write(hits[h]["organism"] + "\t" + str(hits[h]["percentIdentity"]) + "\t") f.write(str(hits[h]["num_hsps"]) + "\t" + str(hits[h]["queryOverlap"]) + "\t") f.write(str(hits[h]["hitOverlap"]) + "\t" + str(hits[h]["evalue"]) + "\t") f.write(str(hits[h]["score"]) + "\t" + str(hits[h]["tax_id"]) + "\t") if h in fasta: f.write(hits[h]["taxonomy"] + "\t" + str(fasta[h].seq)) else: f.write(hits[h]["taxonomy"] + "\t\"\"") f.write("\n") else: f.write(options.algo + "\t" + h + "\t" + read_nb + "\t" + str(hits[h])[1:-1] + "\t") f.write("\n") f.close() _create_abundance(options, tsv_file) def _create_abundance(options, tsv_file): """ extract values from tsv files and create abundance files """ log.info("Calculating abundance.") file_path = tsv_file abundance = dict() with open(tsv_file, 'r') as current_file: log.debug("Reading " + file_path) csv_reader = csv.reader(current_file, delimiter='\t') line_count = 0 for row in csv_reader: if line_count == 0: # headers line_count += 1 else: # no annotation if len(row) == 16: if row[14] != "": nb_reads = row[2] if nb_reads == "": current_reads_nb = 0 log.debug("No reads number for " + row[1]) else: current_reads_nb = int(nb_reads) contig_id = row[14] if contig_id in abundance: # add reads abundance[contig_id]["reads_nb"] = abundance[row[14]]["reads_nb"] + current_reads_nb abundance[contig_id]["contigs_nb"] = abundance[row[14]]["contigs_nb"] + 1 else: # init reads for this taxo abundance[contig_id] = {} abundance[contig_id]["reads_nb"] = current_reads_nb abundance[contig_id]["contigs_nb"] = 1 else: log.debug("No annotations for contig " + row[1]) else: log.debug("No annotations for contig " + row[1]) log.debug(abundance) reads_file = open(options.output + "/blast2tsv_reads.txt", "w+") for taxo in abundance: reads_file.write(str(abundance[taxo]["reads_nb"])) reads_file.write("\t") reads_file.write("\t".join(taxo.split(";"))) reads_file.write("\n") reads_file.close() log.info("Abundance file created " + options.output + "/blast2tsv_reads.txt") contigs_file = open(options.output + "/blast2tsv_contigs.txt", "w+") for taxo in abundance: contigs_file.write(str(abundance[taxo]["contigs_nb"])) contigs_file.write("\t") contigs_file.write("\t".join(taxo.split(";"))) contigs_file.write("\n") contigs_file.close() log.info("Abundance file created " + options.output + "/blast2tsv_contigs.txt") def _set_options(): parser = argparse.ArgumentParser() parser.add_argument('-x', '--xml', help='XML files with results of blast', action='store', required=True, dest='xml_file') parser.add_argument('-rn', '--read-count', help='Tab-delimited file associating seqID with read number.', action='store', dest='rn_file') parser.add_argument('-c', '--contigs', help='FASTA file with contigs sequence.', action='store', required=True, dest='fasta_file') parser.add_argument('-me', '--max_evalue', help='Max evalue', action='store', type=float, default=0.0001, dest='max_evalue') parser.add_argument('-qov', '--min_query_overlap', help='Minimum query overlap', action='store', type=int, default=5, dest='min_qov') parser.add_argument('-mhov', '--min_hit_overlap', help='Minimum hit overlap', action='store', type=int, default=5, dest='min_hov') parser.add_argument('-s', '--min_score', help='Minimum score', action='store', type=int, default=30, dest='min_score') parser.add_argument('-a', '--algo', help='Blast type detection (BLASTN|BLASTP|BLASTX|TBLASTX|TBLASTN|DIAMONDX).', action='store', type=str, default='BLASTX', dest='algo') parser.add_argument('-o', '--out', help='The output file (.csv).', action='store', type=str, default='./blast2tsv', dest='output') parser.add_argument('-v', '--verbosity', help='Verbose level', action='store', type=int, choices=[1, 2, 3, 4], default=1) args = parser.parse_args() return args def _set_log_level(verbosity): if verbosity == 1: log_format = '%(asctime)s %(levelname)-8s %(message)s' log.basicConfig(level=log.INFO, format=log_format) elif verbosity == 3: log_format = '%(filename)s:%(lineno)s - %(asctime)s %(levelname)-8s %(message)s' log.basicConfig(level=log.DEBUG, format=log_format) if __name__ == "__main__": main()