/* * Jalview - A Sequence Alignment Editor and Viewer (Version 2.7) * Copyright (C) 2011 J Procter, AM Waterhouse, J Engelhardt, LM Lui, G Barton, M Clamp, S Searle * * This file is part of Jalview. * * Jalview is free software: you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. * * Jalview is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty * of MERCHANTABILITY or FITNESS FOR A PARTICULAR * PURPOSE. See the GNU General Public License for more details. * * You should have received a copy of the GNU General Public License along with Jalview. If not, see . */ /* * This extension was written by Benjamin Schuster-Boeckler at sanger.ac.uk */ package jalview.io; import java.io.*; import java.util.*; import com.stevesoft.pat.*; import jalview.datamodel.*; import jalview.analysis.Rna; // import org.apache.log4j.*; /** * This class is supposed to parse a Stockholm format file into Jalview There * are TODOs in this class: we do not know what the database source and version * is for the file when parsing the #GS= AC tag which associates accessions with * sequences. Database references are also not parsed correctly: a separate * reference string parser must be added to parse the database reference form * into Jalview's local representation. * * @author bsb at sanger.ac.uk * @version 0.3 + jalview mods * */ public class StockholmFile extends AlignFile { // static Logger logger = Logger.getLogger("jalview.io.StockholmFile"); public StockholmFile() { } public StockholmFile(String inFile, String type) throws IOException { super(inFile, type); } public StockholmFile(FileParse source) throws IOException { super(source); } public void initData() { super.initData(); } /** * Parse a file in Stockholm format into Jalview's data model. The file has to * be passed at construction time * * @throws IOException * If there is an error with the input file */ public void parse() throws IOException { StringBuffer treeString = new StringBuffer(); String treeName = null; // --------------- Variable Definitions ------------------- String line; String version; // String id; Hashtable seqAnn = new Hashtable(); // Sequence related annotations Hashtable seqs = new Hashtable(); Regex p, r, rend, s, x; // Temporary line for processing RNA annotation // String RNAannot = ""; // ------------------ Parsing File ---------------------- // First, we have to check that this file has STOCKHOLM format, i.e. the // first line must match r = new Regex("# STOCKHOLM ([\\d\\.]+)"); if (!r.search(nextLine())) { throw new IOException( "This file is not in valid STOCKHOLM format: First line does not contain '# STOCKHOLM'"); } else { version = r.stringMatched(1); // logger.debug("Stockholm version: " + version); } // We define some Regexes here that will be used regularily later rend = new Regex("^\\s*\\/\\/"); // Find the end of an alignment p = new Regex("(\\S+)\\/(\\d+)\\-(\\d+)"); // split sequence id in // id/from/to s = new Regex("(\\S+)\\s+(\\S*)\\s+(.*)"); // Parses annotation subtype r = new Regex("#=(G[FSRC]?)\\s+(.*)"); // Finds any annotation line x = new Regex("(\\S+)\\s+(\\S+)"); // split id from sequence // Convert all bracket types to parentheses (necessary for passing to VARNA) Regex openparen = new Regex("(<|\\[)", "("); Regex closeparen = new Regex("(>|\\])", ")"); // Detect if file is RNA by looking for bracket types Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))"); rend.optimize(); p.optimize(); s.optimize(); r.optimize(); x.optimize(); openparen.optimize(); closeparen.optimize(); while ((line = nextLine()) != null) { if (line.length() == 0) { continue; } if (rend.search(line)) { // End of the alignment, pass stuff back this.noSeqs = seqs.size(); // logger.debug("Number of sequences: " + this.noSeqs); Enumeration accs = seqs.keys(); while (accs.hasMoreElements()) { String acc = (String) accs.nextElement(); // logger.debug("Processing sequence " + acc); String seq = (String) seqs.remove(acc); if (maxLength < seq.length()) { maxLength = seq.length(); } int start = 1; int end = -1; String sid = acc; /* * Retrieve hash of annotations for this accession * Associate Annotation with accession */ Hashtable accAnnotations = null; if (seqAnn != null && seqAnn.containsKey(acc)) { accAnnotations = (Hashtable) seqAnn.remove(acc); //TODO: add structures to sequence } // Split accession in id and from/to if (p.search(acc)) { sid = p.stringMatched(1); start = Integer.parseInt(p.stringMatched(2)); end = Integer.parseInt(p.stringMatched(3)); } // logger.debug(sid + ", " + start + ", " + end); Sequence seqO = new Sequence(sid, seq, start, end); // Add Description (if any) if (accAnnotations != null && accAnnotations.containsKey("DE")) { String desc = (String) accAnnotations.get("DE"); seqO.setDescription((desc == null) ? "" : desc); } // Add DB References (if any) if (accAnnotations != null && accAnnotations.containsKey("DR")) { String dbr = (String) accAnnotations.get("DR"); if (dbr != null && dbr.indexOf(";") > -1) { String src = dbr.substring(0, dbr.indexOf(";")); String acn = dbr.substring(dbr.indexOf(";") + 1); jalview.util.DBRefUtils.parseToDbRef(seqO, src, "0", acn); // seqO.addDBRef(dbref); } } if (accAnnotations != null && accAnnotations.containsKey("SS")) { Vector v = (Vector) accAnnotations.get("SS"); for (int i = 0; i < v.size(); i++) { AlignmentAnnotation an = (AlignmentAnnotation) v.elementAt(i); seqO.addAlignmentAnnotation(an); //annotations.add(an); } } Hashtable features = null; // We need to adjust the positions of all features to account for gaps try { features = (Hashtable) accAnnotations.remove("features"); } catch (java.lang.NullPointerException e) { // loggerwarn("Getting Features for " + acc + ": " + // e.getMessage()); // continue; } // if we have features if (features != null) { int posmap[] = seqO.findPositionMap(); Enumeration i = features.keys(); while (i.hasMoreElements()) { // TODO: parse out secondary structure annotation as annotation // row // TODO: parse out scores as annotation row // TODO: map coding region to core jalview feature types String type = i.nextElement().toString(); Hashtable content = (Hashtable) features.remove(type); Enumeration j = content.keys(); while (j.hasMoreElements()) { String desc = j.nextElement().toString(); String ns = content.get(desc).toString(); char[] byChar = ns.toCharArray(); for (int k = 0; k < byChar.length; k++) { char c = byChar[k]; if (!(c == ' ' || c == '_' || c == '-' || c == '.')) // PFAM // uses // '.' // for // feature // background { int new_pos = posmap[k]; // look up nearest seqeunce // position to this column SequenceFeature feat = new SequenceFeature(type, desc, new_pos, new_pos, 0f, null); seqO.addSequenceFeature(feat); } } } } } // garbage collect // logger.debug("Adding seq " + acc + " from " + start + " to " + end // + ": " + seq); this.seqs.addElement(seqO); } return; // finished parsing this segment of source } else if (!r.search(line)) { // System.err.println("Found sequence line: " + line); // Split sequence in sequence and accession parts if (!x.search(line)) { // logger.error("Could not parse sequence line: " + line); throw new IOException("Could not parse sequence line: " + line); } String ns = (String) seqs.get(x.stringMatched(1)); if (ns == null) { ns = ""; } ns += x.stringMatched(2); seqs.put(x.stringMatched(1), ns); } else { String annType = r.stringMatched(1); String annContent = r.stringMatched(2); // System.err.println("type:" + annType + " content: " + annContent); if (annType.equals("GF")) { /* * Generic per-File annotation, free text Magic features: #=GF NH * #=GF TN Pfam descriptions: 7. DESCRIPTION OF FIELDS * * Compulsory fields: ------------------ * * AC Accession number: Accession number in form PFxxxxx.version or * PBxxxxxx. ID Identification: One word name for family. DE * Definition: Short description of family. AU Author: Authors of the * entry. SE Source of seed: The source suggesting the seed members * belong to one family. GA Gathering method: Search threshold to * build the full alignment. TC Trusted Cutoff: Lowest sequence score * and domain score of match in the full alignment. NC Noise Cutoff: * Highest sequence score and domain score of match not in full * alignment. TP Type: Type of family -- presently Family, Domain, * Motif or Repeat. SQ Sequence: Number of sequences in alignment. AM * Alignment Method The order ls and fs hits are aligned to the model * to build the full align. // End of alignment. * * Optional fields: ---------------- * * DC Database Comment: Comment about database reference. DR Database * Reference: Reference to external database. RC Reference Comment: * Comment about literature reference. RN Reference Number: Reference * Number. RM Reference Medline: Eight digit medline UI number. RT * Reference Title: Reference Title. RA Reference Author: Reference * Author RL Reference Location: Journal location. PI Previous * identifier: Record of all previous ID lines. KW Keywords: Keywords. * CC Comment: Comments. NE Pfam accession: Indicates a nested domain. * NL Location: Location of nested domains - sequence ID, start and * end of insert. * * Obsolete fields: ----------- AL Alignment method of seed: The * method used to align the seed members. */ // Let's save the annotations, maybe we'll be able to do something // with them later... Regex an = new Regex("(\\w+)\\s*(.*)"); if (an.search(annContent)) { if (an.stringMatched(1).equals("NH")) { treeString.append(an.stringMatched(2)); } else if (an.stringMatched(1).equals("TN")) { if (treeString.length() > 0) { if (treeName == null) { treeName = "Tree " + (getTreeCount() + 1); } addNewickTree(treeName, treeString.toString()); } treeName = an.stringMatched(2); treeString = new StringBuffer(); } setAlignmentProperty(an.stringMatched(1), an.stringMatched(2)); } } else if (annType.equals("GS")) { // Generic per-Sequence annotation, free text /* * Pfam uses these features: Feature Description --------------------- * ----------- AC ACcession number DE * DEscription DR ; ; Database Reference OS * OrganiSm (species) OC Organism Classification (clade, etc.) * LO Look (Color, etc.) */ if (s.search(annContent)) { String acc = s.stringMatched(1); String type = s.stringMatched(2); String content = s.stringMatched(3); // TODO: store DR in a vector. // TODO: store AC according to generic file db annotation. Hashtable ann; if (seqAnn.containsKey(acc)) { ann = (Hashtable) seqAnn.get(acc); } else { ann = new Hashtable(); } ann.put(type, content); seqAnn.put(acc, ann); } else { throw new IOException("Error parsing " + line); } } else if (annType.equals("GC")) { // Generic per-Column annotation, exactly 1 char per column // always need a label. if (x.search(annContent)) { // parse out and create alignment annotation directly. parseAnnotationRow(annotations, x.stringMatched(1), x.stringMatched(2)); } } else if (annType.equals("GR")) { // Generic per-Sequence AND per-Column markup, exactly 1 char per // column /* * Feature Description Markup letters ------- ----------- * -------------- SS Secondary Structure [HGIEBTSCX] SA Surface * Accessibility [0-9X] (0=0%-10%; ...; 9=90%-100%) TM TransMembrane * [Mio] PP Posterior Probability [0-9*] (0=0.00-0.05; 1=0.05-0.15; * *=0.95-1.00) LI LIgand binding [*] AS Active Site [*] IN INtron (in * or after) [0-2] */ if (s.search(annContent)) { String acc = s.stringMatched(1); String type = s.stringMatched(2); String seq = new String(s.stringMatched(3)); String description = null; // Check for additional information about the current annotation // We use a simple string tokenizer here for speed StringTokenizer sep = new StringTokenizer(seq, " \t"); description = sep.nextToken(); if (sep.hasMoreTokens()) { seq = sep.nextToken(); } else { seq = description; description = new String(); } // sequence id with from-to fields Hashtable ann; // Get an object with all the annotations for this sequence if (seqAnn.containsKey(acc)) { // logger.debug("Found annotations for " + acc); ann = (Hashtable) seqAnn.get(acc); } else { // logger.debug("Creating new annotations holder for " + acc); ann = new Hashtable(); seqAnn.put(acc, ann); } //TODO test structure, call parseAnnotationRow with vector from hashtable for specific sequence Hashtable features; // Get an object with all the content for an annotation if (ann.containsKey("features")) { // logger.debug("Found features for " + acc); features = (Hashtable) ann.get("features"); } else { // logger.debug("Creating new features holder for " + acc); features = new Hashtable(); ann.put("features", features); } Hashtable content; if (features.containsKey(this.id2type(type))) { // logger.debug("Found content for " + this.id2type(type)); content = (Hashtable) features.get(this.id2type(type)); } else { // logger.debug("Creating new content holder for " + // this.id2type(type)); content = new Hashtable(); features.put(this.id2type(type), content); } String ns = (String) content.get(description); if (ns == null) { ns = ""; } ns += seq; content.put(description, ns); if(type.equals("SS")){ Hashtable strucAnn; if (seqAnn.containsKey(acc)) { strucAnn = (Hashtable) seqAnn.get(acc); } else { strucAnn = new Hashtable(); } Vector newStruc=new Vector(); parseAnnotationRow(newStruc, type,ns); strucAnn.put(type, newStruc); seqAnn.put(acc, strucAnn); } } else { System.err .println("Warning - couldn't parse sequence annotation row line:\n" + line); // throw new IOException("Error parsing " + line); } } else { throw new IOException("Unknown annotation detected: " + annType + " " + annContent); } } } if (treeString.length() > 0) { if (treeName == null) { treeName = "Tree " + (1 + getTreeCount()); } addNewickTree(treeName, treeString.toString()); } } private AlignmentAnnotation parseAnnotationRow(Vector annotation, String label, String annots) { String convert1, convert2 = null; // Convert all bracket types to parentheses Regex openparen = new Regex("(<|\\[)", "("); Regex closeparen = new Regex("(>|\\])", ")"); // Detect if file is RNA by looking for bracket types Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))"); convert1 = openparen.replaceAll(annots); convert2 = closeparen.replaceAll(convert1); annots = convert2; String type = (label.indexOf("_cons") == label.length() - 5) ? label .substring(0, label.length() - 5) : label; boolean ss = false; type = id2type(type); if (type.equals("secondary structure")) { ss = true; } // decide on secondary structure or not. Annotation[] els = new Annotation[annots.length()]; for (int i = 0; i < annots.length(); i++) { String pos = annots.substring(i, i + 1); Annotation ann; ann = new Annotation(pos, "", ' ', 0f); // 0f is 'valid' null - will not // be written out if (ss) { if (detectbrackets.search(pos)) { ann.secondaryStructure = jalview.schemes.ResidueProperties .getRNASecStrucState(pos).charAt(0); } else { ann.secondaryStructure = jalview.schemes.ResidueProperties .getDssp3state(pos).charAt(0); } if (ann.secondaryStructure == pos.charAt(0) || pos.charAt(0) == 'C') { ann.displayCharacter = ""; // null; // " "; } else { ann.displayCharacter = " " + ann.displayCharacter; } } els[i] = ann; } AlignmentAnnotation annot = null; Enumeration e = annotation.elements(); while (e.hasMoreElements()) { annot = (AlignmentAnnotation) e.nextElement(); if (annot.label.equals(type)) break; annot = null; } if (annot == null) { annot = new AlignmentAnnotation(type, type, els); annotation.addElement(annot); } else { Annotation[] anns = new Annotation[annot.annotations.length + els.length]; System.arraycopy(annot.annotations, 0, anns, 0, annot.annotations.length); System.arraycopy(els, 0, anns, annot.annotations.length, els.length); annot.annotations = anns; //System.out.println("else: "); } return annot; } public static String print(SequenceI[] s) { return "not yet implemented"; } public String print() { return print(getSeqsAsArray()); } private static Hashtable typeIds = null; static { if (typeIds == null) { typeIds = new Hashtable(); typeIds.put("SS", "secondary structure"); typeIds.put("SA", "surface accessibility"); typeIds.put("TM", "transmembrane"); typeIds.put("PP", "posterior probability"); typeIds.put("LI", "ligand binding"); typeIds.put("AS", "active site"); typeIds.put("IN", "intron"); typeIds.put("IR", "interacting residue"); typeIds.put("AC", "accession"); typeIds.put("OS", "organism"); typeIds.put("CL", "class"); typeIds.put("DE", "description"); typeIds.put("DR", "reference"); typeIds.put("LO", "look"); typeIds.put("RF", "reference positions"); } } private String id2type(String id) { if (typeIds.containsKey(id)) { return (String) typeIds.get(id); } System.err.println("Warning : Unknown Stockholm annotation type code " + id); return id; } /** * //ssline is complete secondary structure line private AlignmentAnnotation * addHelices(Vector annotation, String label, String ssline) { * * // decide on secondary structure or not. Annotation[] els = new * Annotation[ssline.length()]; for (int i = 0; i < ssline.length(); i++) { * String pos = ssline.substring(i, i + 1); Annotation ann; ann = new * Annotation(pos, "", ' ', 0f); // 0f is 'valid' null - will not * * ann.secondaryStructure = * jalview.schemes.ResidueProperties.getRNAssState(pos).charAt(0); * * ann.displayCharacter = "x" + ann.displayCharacter; * * System.out.println(ann.displayCharacter); * * els[i] = ann; } AlignmentAnnotation helicesAnnot = null; Enumeration e = * annotation.elements(); while (e.hasMoreElements()) { helicesAnnot = * (AlignmentAnnotation) e.nextElement(); if (helicesAnnot.label.equals(type)) * break; helicesAnnot = null; } if (helicesAnnot == null) { helicesAnnot = * new AlignmentAnnotation(type, type, els); * annotation.addElement(helicesAnnot); } else { Annotation[] anns = new * Annotation[helicesAnnot.annotations.length + els.length]; * System.arraycopy(helicesAnnot.annotations, 0, anns, 0, * helicesAnnot.annotations.length); System.arraycopy(els, 0, anns, * helicesAnnot.annotations.length, els.length); helicesAnnot.annotations = * anns; } * * helicesAnnot.features = Rna.GetBasePairs(ssline); * Rna.HelixMap(helicesAnnot.features); * * * return helicesAnnot; } */ }