import os, sys, re from Bio import SeqIO def run(params): try: ogs = list(dict.fromkeys([line.strip() for line in open(params.gf_list)])) except (FileNotFoundError, TypeError) as e: print('\nERROR: Unable to read GF list file. Please make sure that the path is correct and that the file is formatted correctly.\n\n' + str(e) + '\n') exit() try: taxa = list(dict.fromkeys([line.strip() for line in open(params.taxon_list)])) except (FileNotFoundError, TypeError) as e: print('\nERROR: Unable to read taxon list file. Please make sure that the path is correct and that the file is formatted correctly.\n\n' + str(e) + '\n') exit() if params.sim_taxa != None: try: sim_taxa = list(dict.fromkeys([line.strip() for line in open(params.sim_taxa)])) except (FileNotFoundError, TypeError) as e: print('\nERROR: Unable to read similarity taxa list file. Please make sure that the path is correct and that the file is formatted correctly.\n\n' + str(e) + '\n') exit() else: sim_taxa = 'all' if params.blacklist != None: try: blacklist_seqs = list(dict.fromkeys([line.strip() for line in open(params.blacklist)])) except (FileNotFoundError, TypeError) as e: print('\nERROR: Unable to read blacklist file. Please make sure that the path is correct and that the file is formatted correctly.\n\n' + str(e) + '\n') exit() else: blacklist_seqs = [] if not os.path.isdir(params.data): print('\nInput amino-acid data files not found. Please make sure that the given path (--data) is correct.\n') aa_files = [f for f in os.listdir(params.data) if f[:10] in taxa if f.endswith('.faa') or f.endswith('.fa') or f.endswith('.fasta')] missing_taxa = [tax for tax in taxa if tax not in [f[:10] for f in aa_files]] if(len(missing_taxa) > 0): print('\nWARNING: The following taxa in the taxon list are missing amino-acid files in ' + params.data + ':\n' + '\n'.join(['\t' + t for t in missing_taxa]) + '\n') os.mkdir(params.output + '/Output/Intermediate/SF_Diamond') removed_file = open(params.output + '/Output/Pre-Guidance/SimFilter_removed.txt', 'w') for og in ogs: print('\nProcessing ' + og + '\n') with open(params.output + '/Output/Pre-Guidance/' + og + '_preguidance.fasta', 'w') as preguidance_file: for taxon_file in aa_files: recs = [] for rec in sorted([rec for rec in SeqIO.parse(params.data + '/' + taxon_file, 'fasta') if rec.id[-10:] == og and rec.id not in blacklist_seqs and rec.id[-10:].startswith(params.og_identifier)], key=lambda x: -len(x.seq)): if(rec.id == rec.description): recs.append(rec) else: print('\n\tThe sequence ID ' + rec.description + ' is invalid. Please make sure that sequence IDs contain no spaces, tabs, etc. This sequence is being excluded.\n') if sim_taxa == 'all': use_taxon = True else: if taxon_file[:10] in sim_taxa: use_taxon = True else: use_taxon = False masters = []; removed = 0; flag = 0; cycle = 0 if params.similarity_filter and use_taxon: if len(recs) > 1: while flag == 0: master_file_name = params.output + '/Output/Intermediate/SF_Diamond/' + og + '_' + taxon_file[:10] + '_master_' + str(cycle) query_file_name = params.output + '/Output/Intermediate/SF_Diamond/' + og + '_' + taxon_file[:10] + '_queries_' + str(cycle) + '.fasta' diamond_out_name = params.output + '/Output/Intermediate/SF_Diamond/' + og + '_' + taxon_file[:10] + '_diamond_results_' + str(cycle) + '.tsv' open(master_file_name + '.faa', 'w').write('>' + recs[0].id + '\n' + str(recs[0].seq) + '\n\n') masters.append(recs[0]) with open(query_file_name, 'w') as queries: for rec in recs[1:]: queries.write('>' + rec.id + '\n' + str(rec.seq) + '\n\n') os.system('diamond makedb --in ' + master_file_name + '.faa -d ' + master_file_name) os.system('diamond blastp -d ' + master_file_name + '.dmnd -q ' + query_file_name + ' --outfmt 6 -o ' + diamond_out_name) diamond_out = open(diamond_out_name).readlines() recs_to_remove = [] for line in diamond_out: line = line.strip().split('\t') if float(line[2])/100 >= params.sim_cutoff: recs_to_remove.append(line[0]); removed =+ 1 if len([rec for rec in recs[1:] if rec.id not in recs_to_remove]) < 2: recs = [rec for rec in recs[1:] if rec.id not in recs_to_remove] flag = 1 else: recs = [rec for rec in recs[1:] if rec.id not in recs_to_remove] cycle += 1 for item in recs_to_remove: removed_file.write(f"{item}\n") print('\n\t' + str(removed) + ' sequence(s) removed by the similarity filter (' + str(cycle + 1) + ' iterations) from ' + taxon_file[:10] + '\n') for rec in recs + masters: preguidance_file.write('>' + rec.id + '\n' + str(rec.seq) + '\n\n') removed_file.close() if(not params.keep_temp): os.system('rm -r ' + params.output + '/Output/Intermediate/SF_Diamond')