diff --git a/src/main/java/proteomics/Index/BuildIndex.java b/src/main/java/proteomics/Index/BuildIndex.java index 022e94c..14196f9 100644 --- a/src/main/java/proteomics/Index/BuildIndex.java +++ b/src/main/java/proteomics/Index/BuildIndex.java @@ -40,7 +40,6 @@ public BuildIndex(Map parameter_map) throws Exception { double one_minus_bin_offset = 1 - Double.valueOf(parameter_map.get("mz_bin_offset")); ms1_bin_size = Double.valueOf(parameter_map.get("ms1_bin_size")); inverseMs1BinSize = 1 / ms1_bin_size; - boolean cutNTermM = parameter_map.get("cut_nterm_methionine").contentEquals("1"); // Read fix modification fix_mod_map.put('G', Double.valueOf(parameter_map.get("G"))); @@ -104,7 +103,7 @@ public BuildIndex(Map parameter_map) throws Exception { // generate seq_pro_map Map seq_term_map = new HashMap<>(); - seqProMap = buildSeqProMap(pro_seq_map, seq_term_map, min_chain_length, max_chain_length, cutNTermM); + seqProMap = buildSeqProMap(pro_seq_map, seq_term_map, min_chain_length, max_chain_length); // read var mods Set varModParamSet = new HashSet<>(30, 1); @@ -220,7 +219,7 @@ public int massToBin(double mass) { return (int) Math.floor(mass * inverseMs1BinSize); } - private Map> buildSeqProMap(Map pro_seq_map, Map seq_term_map, int min_chain_length, int max_chain_length, boolean cutNTermM) { + private Map> buildSeqProMap(Map pro_seq_map, Map seq_term_map, int min_chain_length, int max_chain_length) { Map> seq_pro_map = new HashMap<>(pro_seq_map.size() * 150, 1); Set for_check_duplicate = new HashSet<>(); for (String pro_id : pro_seq_map.keySet()) { @@ -237,7 +236,7 @@ private Map> buildSeqProMap(Map pro_seq_map, if (pro_seq.startsWith(target_seq.substring(1, target_seq.length() - 1))) { n_term = true; } - if (cutNTermM && pro_seq.startsWith("M") && pro_seq.substring(1).startsWith(target_seq.substring(1, target_seq.length() - 1))) { // consider the first "M" being cut situation. + if (pro_seq.startsWith("M") && pro_seq.substring(1).startsWith(target_seq.substring(1, target_seq.length() - 1))) { // consider the first "M" being cut situation. n_term = true; } if (pro_seq.endsWith(target_seq.substring(1, target_seq.length() - 1))) { @@ -261,7 +260,7 @@ private Map> buildSeqProMap(Map pro_seq_map, String pro_seq = pro_seq_map.get(pro_id); String decoy_pro_seq = (new StringBuilder(pro_seq)).reverse().toString(); Set decoy_seq_set = mass_tool_obj.buildChainSet(decoy_pro_seq, linker_type); - if (cutNTermM && pro_seq.startsWith("M")) { + if (pro_seq.startsWith("M")) { decoy_seq_set.addAll(mass_tool_obj.buildChainSet((new StringBuilder(pro_seq.substring(1))).reverse().toString(), linker_type)); } for (String decoy_seq : decoy_seq_set) { diff --git a/src/main/resources/parameter.def b/src/main/resources/parameter.def index 84df647..806b243 100644 --- a/src/main/resources/parameter.def +++ b/src/main/resources/parameter.def @@ -73,7 +73,7 @@ cal_evalue = 1 # 1 = calculate e-value; 0 = not. ms1_bin_size = 0.001 delta_c_t = 0.00 # DeltaC threshold. flanking_peaks = 0 # 1 = use flanking peaks; 0 = not. -append_contaminants = 0 # 1 = append contaminant proteins to the database; 0 = not +append_contaminants = 1 # 1 = append contaminant proteins to the database; 0 = not # For debug. # Put interested scan numbers below. One number each line. \ No newline at end of file