# # = lib/evo/io/parser/hmmscan_domain_extractor.rb - HmmscanDomainExtractor class # # Copyright:: Copyright (C) 2012 Christian M. Zmasek # License:: GNU Lesser General Public License (LGPL) # # $Id: $ require 'lib/evo/util/constants' require 'lib/evo/msa/msa_factory' require 'lib/evo/io/msa_io' require 'lib/evo/io/writer/fasta_writer' require 'lib/evo/io/parser/fasta_parser' module Evoruby class HmmscanDomainExtractor TRIM_BY = 2 def initialize end # raises ArgumentError, IOError, StandardError def parse( domain_id, hmmsearch_output, fasta_sequence_file, outfile, passed_seqs_outfile, failed_seqs_outfile, e_value_threshold, length_threshold, add_position, add_domain_number, add_domain_number_as_digit, add_domain_number_as_letter, trim_name, add_species, min_linker, log ) Util.check_file_for_readability( hmmsearch_output ) Util.check_file_for_readability( fasta_sequence_file ) Util.check_file_for_writability( outfile ) Util.check_file_for_writability( passed_seqs_outfile ) Util.check_file_for_writability( failed_seqs_outfile ) in_msa = nil factory = MsaFactory.new() in_msa = factory.create_msa_from_file( fasta_sequence_file, FastaParser.new() ) if ( in_msa == nil || in_msa.get_number_of_seqs() < 1 ) error_msg = "could not find fasta sequences in " + fasta_sequence_file raise IOError, error_msg end out_msa = Msa.new failed_seqs = Msa.new passed_seqs = Msa.new out_msa_pairs = nil out_msa_distance_partners = nil out_msa_singlets = nil if min_linker out_msa_pairs = Msa.new out_msa_distant_partners = Msa.new out_msa_singlets = Msa.new end ld = Constants::LINE_DELIMITER domain_pass_counter = 0 domain_fail_counter = 0 proteins_with_passing_domains = 0 proteins_with_failing_domains = 0 max_domain_copy_number_per_protein = -1 max_domain_copy_number_sequence = "" prev_sequence = nil prev_number = nil prev_env_from = nil prev_env_to = nil prev_i_e_value = nil prev_is_pair = false File.open( hmmsearch_output ) do | file | while line = file.gets if !is_ignorable?( line ) && line =~ /^\S+\s+/ # tn acc tlen query acc qlen Evalue score bias # of c-E i-E score bias hf ht af at ef et acc desc # 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 line =~ /^(\S+)\s+(\S+)\s+(\d+)\s+(\S+)\s+(\S+)\s+(\d+)\s+(\S+)\s+(\S+)\s+(\S+)\s+(\d+)\s+(\d+)\s+(\S+)\s+(\S+)\s+(\S+)\s+(\S+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\d+)\s+(\S+)\s+(.*)/ target_name = $1 if domain_id != target_name next end sequence = $4 number = $10.to_i out_of = $11.to_i env_from = $20.to_i env_to = $21.to_i i_e_value = $13.to_f if ( number > max_domain_copy_number_per_protein ) max_domain_copy_number_sequence = sequence max_domain_copy_number_per_protein = number end if ( ( ( e_value_threshold < 0.0 ) || ( i_e_value <= e_value_threshold ) ) && ( ( length_threshold <= 0 ) || ( env_to - env_from + 1 ) >= length_threshold.to_f ) ) extract_domain( sequence, number, out_of, env_from, env_to, in_msa, out_msa, add_position, add_domain_number, add_domain_number_as_digit, add_domain_number_as_letter, trim_name , add_species ) domain_pass_counter += 1 if passed_seqs.find_by_name_start( sequence, true ).length < 1 add_sequence( sequence, in_msa, passed_seqs ) proteins_with_passing_domains += 1 end if min_linker if ( ( e_value_threshold < 0.0 ) || ( prev_i_e_value <= e_value_threshold ) ) && ( ( length_threshold <= 0 ) || ( ( prev_env_to - prev_env_from + 1 ) >= length_threshold.to_f ) ) if sequence != prev_sequence prev_is_pair = false end if out_of == 1 if sequence == prev_sequence puts "sequence == prev_sequence && out_of == 1" exit end extract_domain( sequence, number, out_of, env_from, env_to, in_msa, out_msa_singlets, false, true, false, false, trim_name , add_species ) elsif sequence == prev_sequence if ( env_from - prev_env_to ) <= min_linker ####### extract_domain( sequence, prev_number.to_s + "+" + number.to_s, out_of, prev_env_from, env_to, in_msa, out_msa_pairs, false, true, false, false, trim_name , add_species ) prev_is_pair = true else ####### if !prev_is_pair extract_domain( sequence, prev_number, out_of, prev_env_from, prev_env_to, in_msa, out_msa_distant_partners, false, true, false, false, trim_name , add_species ) end if number == out_of extract_domain( sequence, number, out_of, env_from, env_to, in_msa, out_msa_distant_partners, false, true, false, false, trim_name , add_species ) end prev_is_pair = false end ####### end prev_sequence = sequence prev_number = number prev_env_from = env_from prev_env_to = env_to prev_i_e_value = i_e_value end else print( domain_fail_counter.to_s + ": " + sequence.to_s + " did not meet threshold(s)" ) log << domain_fail_counter.to_s + ": " + sequence.to_s + " did not meet threshold(s)" if ( ( e_value_threshold.to_f >= 0.0 ) && ( i_e_value > e_value_threshold ) ) print( " iE=" + i_e_value.to_s ) log << " iE=" + i_e_value.to_s end if ( ( length_threshold.to_f > 0 ) && ( env_to - env_from + 1 ) < length_threshold.to_f ) le = env_to - env_from + 1 print( " l=" + le.to_s ) log << " l=" + le.to_s end print( Constants::LINE_DELIMITER ) log << Constants::LINE_DELIMITER domain_fail_counter += 1 if failed_seqs.find_by_name_start( sequence, true ).length < 1 add_sequence( sequence, in_msa, failed_seqs ) proteins_with_failing_domains += 1 end end end end end if domain_pass_counter < 1 error_msg = "no domain sequences were extracted" raise StandardError, error_msg end log << Constants::LINE_DELIMITER puts( "Max domain copy number per protein : " + max_domain_copy_number_per_protein.to_s ) log << "Max domain copy number per protein : " + max_domain_copy_number_per_protein.to_s log << Constants::LINE_DELIMITER if ( max_domain_copy_number_per_protein > 1 ) puts( "First protein with this copy number: " + max_domain_copy_number_sequence ) log << "First protein with this copy number: " + max_domain_copy_number_sequence log << Constants::LINE_DELIMITER end write_msa( out_msa, outfile ) write_msa( passed_seqs, passed_seqs_outfile ) write_msa( failed_seqs, failed_seqs_outfile ) if out_msa_pairs write_msa( out_msa_pairs, outfile +"_" + min_linker.to_s ) end if out_msa_singlets write_msa( out_msa_singlets, outfile +"_singles" ) end if out_msa_distant_partners write_msa( out_msa_distant_partners, outfile +"_singles" ) end log << ld log << "passing domains : " + domain_pass_counter.to_s + ld log << "failing domains : " + domain_fail_counter.to_s + ld log << "proteins with passing domains: " + proteins_with_passing_domains.to_s + ld log << "proteins with failing domains: " + proteins_with_failing_domains.to_s + ld log << ld return domain_pass_counter end # parse private def write_msa( msa, filename ) io = MsaIO.new() w = FastaWriter.new() w.set_line_width( 60 ) w.clean( true ) begin io.write_to_file( msa, filename, w ) rescue Exception error_msg = "could not write to \"" + filename + "\"" raise IOError, error_msg end end def add_sequence( sequence_name, in_msa, add_to_msa ) seqs = in_msa.find_by_name_start( sequence_name, true ) if ( seqs.length < 1 ) error_msg = "sequence \"" + sequence_name + "\" not found in sequence file" raise StandardError, error_msg end if ( seqs.length > 1 ) error_msg = "sequence \"" + sequence_name + "\" not unique in sequence file" raise StandardError, error_msg end seq = in_msa.get_sequence( seqs[ 0 ] ) add_to_msa.add_sequence( seq ) end # raises ArgumentError, StandardError def extract_domain( sequence, number, out_of, seq_from, seq_to, in_msa, out_msa, add_position, add_domain_number, add_domain_number_as_digit, add_domain_number_as_letter, trim_name, add_species ) if number.is_a?( Fixnum ) && ( number < 1 || out_of < 1 || number > out_of ) error_msg = "impossible: number=" + number.to_s + ", out of=" + out_of.to_s raise ArgumentError, error_msg end if seq_from < 1 || seq_to < 1 || seq_from >= seq_to error_msg = "impossible: seq-f=" + seq_from.to_s + ", seq-t=" + seq_to.to_s raise ArgumentError, error_msg end seqs = in_msa.find_by_name_start( sequence, true ) if seqs.length < 1 error_msg = "sequence \"" + sequence + "\" not found in sequence file" raise StandardError, error_msg end if seqs.length > 1 error_msg = "sequence \"" + sequence + "\" not unique in sequence file" raise StandardError, error_msg end # hmmsearch is 1 based, wheres sequences are 0 bases in this package. seq = in_msa.get_sequence( seqs[ 0 ] ).get_subsequence( seq_from - 1, seq_to - 1 ) orig_name = seq.get_name seq.set_name( orig_name.split[ 0 ] ) if add_position seq.set_name( seq.get_name + "_" + seq_from.to_s + "-" + seq_to.to_s ) end if trim_name seq.set_name( seq.get_name[ 0, seq.get_name.length - TRIM_BY ] ) end if out_of != 1 if add_domain_number_as_digit seq.set_name( seq.get_name + number.to_s ) elsif add_domain_number_as_letter if number > 25 error_msg = 'too many identical domains per sequence, cannot use letters to distinguish them' raise StandardError, error_msg end seq.set_name( seq.get_name + ( number + 96 ).chr ) elsif add_domain_number seq.set_name( seq.get_name + "~" + number.to_s + "-" + out_of.to_s ) end end # if ( seq.get_name.length > 10 ) # error_msg = "sequence name [" + seq.get_name + "] is longer than 10 characters" # raise StandardError, error_msg # end if add_species a = orig_name.rindex "[" b = orig_name.rindex "]" unless a && b error_msg = "species not found in " + orig_name raise StandardError, error_msg end species = orig_name[ a .. b ] seq.set_name( seq.get_name + " " + species ) end out_msa.add_sequence( seq ) end def is_ignorable?( line ) return ( line !~ /[A-Za-z0-9-]/ || line =~/^#/ ) end end # class HmmscanDomainExtractor end # module Evoruby