Merge branch 'JAL-1199-Stk_writing' into rnaml_test
[jalview.git] / src / jalview / io / StockholmFile.java
index 945b8c5..579aff4 100644 (file)
@@ -1,42 +1,61 @@
 /*\r
- * Jalview - A Sequence Alignment Editor and Viewer\r
- * Copyright (C) 2007 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle\r
- *\r
- * This program is free software; you can redistribute it and/or\r
- * modify it under the terms of the GNU General Public License\r
- * as published by the Free Software Foundation; either version 2\r
- * of the License, or (at your option) any later version.\r
- *\r
- * This program is distributed in the hope that it will be useful,\r
- * but WITHOUT ANY WARRANTY; without even the implied warranty of\r
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the\r
- * GNU General Public License for more details.\r
- *\r
- * You should have received a copy of the GNU General Public License\r
- * along with this program; if not, write to the Free Software\r
- * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA\r
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8)\r
+ * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle\r
+ * \r
+ * This file is part of Jalview.\r
+ * \r
+ * Jalview is free software: you can redistribute it and/or\r
+ * modify it under the terms of the GNU General Public License \r
+ * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.\r
+ *  \r
+ * Jalview is distributed in the hope that it will be useful, but \r
+ * WITHOUT ANY WARRANTY; without even the implied warranty \r
+ * of MERCHANTABILITY or FITNESS FOR A PARTICULAR \r
+ * PURPOSE.  See the GNU General Public License for more details.\r
+ * \r
+ * You should have received a copy of the GNU General Public License along with Jalview.  If not, see <http://www.gnu.org/licenses/>.\r
  */\r
 /*\r
  * This extension was written by Benjamin Schuster-Boeckler at sanger.ac.uk\r
  */\r
 package jalview.io;\r
 \r
-import java.io.*;\r
-import java.util.*;\r
+import jalview.datamodel.AlignmentI;\r
+import jalview.datamodel.AlignmentAnnotation;\r
+import jalview.datamodel.Annotation;\r
+import jalview.datamodel.DBRefEntry;\r
+import jalview.datamodel.Mapping;\r
+import jalview.datamodel.Sequence;\r
+import jalview.datamodel.SequenceFeature;\r
+import jalview.datamodel.SequenceI;\r
+import jalview.util.Format;\r
 \r
-import com.stevesoft.pat.*;\r
-import jalview.datamodel.*;\r
+import java.io.BufferedReader;\r
+import java.io.FileReader;\r
+import java.io.IOException;\r
+import java.util.ArrayList;\r
+import java.util.Enumeration;\r
+import java.util.Hashtable;\r
+import java.util.List;\r
+import java.util.StringTokenizer;\r
+import java.util.Vector;\r
+\r
+import com.stevesoft.pat.Regex;\r
+\r
+import fr.orsay.lri.varna.exceptions.ExceptionUnmatchedClosingParentheses;\r
+import fr.orsay.lri.varna.factories.RNAFactory;\r
+import fr.orsay.lri.varna.models.rna.RNA;\r
 \r
 // import org.apache.log4j.*;\r
 \r
 /**\r
- * This class is supposed to parse a Stockholm format file into Jalview\r
- * There are TODOs in this class: we do not know what the database source and\r
- * version is for the file when parsing the #GS= AC tag which associates accessions\r
- * with sequences. \r
- * Database references are also not parsed correctly: a separate reference string\r
- * parser must be added to parse the database reference form into Jalview's local\r
- * representation.\r
+ * This class is supposed to parse a Stockholm format file into Jalview There\r
+ * are TODOs in this class: we do not know what the database source and version\r
+ * is for the file when parsing the #GS= AC tag which associates accessions with\r
+ * sequences. Database references are also not parsed correctly: a separate\r
+ * reference string parser must be added to parse the database reference form\r
+ * into Jalview's local representation.\r
+ * \r
  * @author bsb at sanger.ac.uk\r
  * @version 0.3 + jalview mods\r
  * \r
@@ -44,16 +63,34 @@ import jalview.datamodel.*;
 public class StockholmFile extends AlignFile\r
 {\r
   // static Logger logger = Logger.getLogger("jalview.io.StockholmFile");\r
+  protected ArrayList<RNA> result;\r
+  \r
+  StringBuffer out; // output buffer\r
+\r
+  AlignmentI al;\r
 \r
   public StockholmFile()\r
   {\r
   }\r
 \r
+  /**
+   * Creates a new StockholmFile object for output.
+   */
+  public StockholmFile(AlignmentI al)
+  {
+    this.al = al;
+  }
+
   public StockholmFile(String inFile, String type) throws IOException\r
   {\r
     super(inFile, type);\r
   }\r
 \r
+  public StockholmFile(FileParse source) throws IOException\r
+  {\r
+    super(source);\r
+  }\r
+\r
   public void initData()\r
   {\r
     super.initData();\r
@@ -68,402 +105,671 @@ public class StockholmFile extends AlignFile
    */\r
   public void parse() throws IOException\r
   {\r
-    StringBuffer treeString = new StringBuffer();\r
-    String treeName = null;\r
-    // --------------- Variable Definitions -------------------\r
-    String line;\r
-    String version;\r
-    // String id;\r
-    Hashtable seqAnn = new Hashtable(); // Sequence related annotations\r
-    Hashtable seqs = new Hashtable();\r
-    Regex p, r, rend, s, x;\r
-\r
-    // ------------------ Parsing File ----------------------\r
-    // First, we have to check that this file has STOCKHOLM format, i.e. the\r
-    // first line must match\r
-    r = new Regex("# STOCKHOLM ([\\d\\.]+)");\r
-    if (!r.search(nextLine()))\r
-    {\r
-      throw new IOException(\r
-              "This file is not in valid STOCKHOLM format: First line does not contain '# STOCKHOLM'");\r
-    }\r
-    else\r
-    {\r
-      version = r.stringMatched(1);\r
-      // logger.debug("Stockholm version: " + version);\r
-    }\r
+      StringBuffer treeString = new StringBuffer();\r
+      String treeName = null;\r
+      // --------------- Variable Definitions -------------------\r
+      String line;\r
+      String version;\r
+    // String id;
+      Hashtable seqAnn = new Hashtable(); // Sequence related annotations\r
+      Hashtable seqs = new Hashtable();\r
+      Regex p, r, rend, s, x;\r
+      // Temporary line for processing RNA annotation\r
+      // String RNAannot = "";\r
 \r
-    // We define some Regexes here that will be used regularily later\r
-    rend = new Regex("\\/\\/"); // Find the end of an alignment\r
-    p = new Regex("(\\S+)\\/(\\d+)\\-(\\d+)"); // split sequence id in\r
-                                                // id/from/to\r
-    s = new Regex("(\\S+)\\s+(\\S*)\\s+(.*)"); // Parses annotation subtype\r
-    r = new Regex("#=(G[FSRC]?)\\s+(.*)"); // Finds any annotation line\r
-    x = new Regex("(\\S+)\\s+(\\S+)"); // split id from sequence\r
-\r
-    rend.optimize();\r
-    p.optimize();\r
-    s.optimize();\r
-    r.optimize();\r
-    x.optimize();\r
-\r
-    while ((line = nextLine()) != null)\r
-    {\r
-      if (line.length() == 0)\r
-      {\r
-        continue;\r
-      }\r
-      if (rend.search(line))\r
-      {\r
-        // End of the alignment, pass stuff back\r
+      // ------------------ Parsing File ----------------------\r
+      // First, we have to check that this file has STOCKHOLM format, i.e. the\r
+      // first line must match\r
+      \r
+  \r
+               r = new Regex("# STOCKHOLM ([\\d\\.]+)");\r
+               if (!r.search(nextLine()))\r
+               {\r
+                       throw new IOException(\r
+                                       "This file is not in valid STOCKHOLM format: First line does not contain '# STOCKHOLM'");\r
+               }\r
+               else\r
+               {\r
+                       version = r.stringMatched(1);\r
+               \r
+                       // logger.debug("Stockholm version: " + version);\r
+               }\r
 \r
-        this.noSeqs = seqs.size();\r
-        // logger.debug("Number of sequences: " + this.noSeqs);\r
-        Enumeration accs = seqs.keys();\r
-        while (accs.hasMoreElements())\r
-        {\r
-          String acc = (String) accs.nextElement();\r
-          // logger.debug("Processing sequence " + acc);\r
-          String seq = (String) seqs.remove(acc);\r
-          if (maxLength < seq.length())\r
-          {\r
-            maxLength = seq.length();\r
-          }\r
-          int start = 1;\r
-          int end = -1;\r
-          String sid = acc;\r
-          // Retrieve hash of annotations for this accession\r
-          Hashtable accAnnotations = null;\r
-\r
-          if (seqAnn != null && seqAnn.containsKey(acc))\r
-          {\r
-            accAnnotations = (Hashtable) seqAnn.remove(acc);\r
-          }\r
-\r
-          // Split accession in id and from/to\r
-          if (p.search(acc))\r
-          {\r
-            sid = p.stringMatched(1);\r
-            start = Integer.parseInt(p.stringMatched(2));\r
-            end = Integer.parseInt(p.stringMatched(3));\r
-          }\r
-          // logger.debug(sid + ", " + start + ", " + end);\r
-\r
-          Sequence seqO = new Sequence(sid, seq, start, end);\r
-          // Add Description (if any)\r
-          if (accAnnotations != null && accAnnotations.containsKey("DE"))\r
-          {\r
-            String desc = (String) accAnnotations.get("DE");\r
-            seqO.setDescription((desc == null) ? "" : desc);\r
-          }\r
-          // Add DB References (if any)\r
-          if (accAnnotations != null && accAnnotations.containsKey("DR"))\r
-          {\r
-            String dbr = (String) accAnnotations.get("DR");\r
-            if (dbr != null && dbr.indexOf(";") > -1)\r
-            {\r
-              String src = dbr.substring(0, dbr.indexOf(";"));\r
-              String acn = dbr.substring(dbr.indexOf(";") + 1);\r
-              jalview.util.DBRefUtils.parseToDbRef(seqO, src, "0", acn);\r
-              //seqO.addDBRef(dbref);\r
-            }\r
-          }\r
-          Hashtable features = null;\r
-          // We need to adjust the positions of all features to account for gaps\r
-          try\r
-          {\r
-            features = (Hashtable) accAnnotations.remove("features");\r
-          } catch (java.lang.NullPointerException e)\r
-          {\r
-            // loggerwarn("Getting Features for " + acc + ": " +\r
-            // e.getMessage());\r
-            // continue;\r
-          }\r
-          // if we have features\r
-          if (features != null)\r
-          {\r
-            int posmap[] = seqO.findPositionMap();\r
-            Enumeration i = features.keys();\r
-            while (i.hasMoreElements())\r
-            {\r
-              // TODO: parse out secondary structure annotation as annotation\r
-              // row\r
-              // TODO: parse out scores as annotation row\r
-              // TODO: map coding region to core jalview feature types\r
-              String type = i.nextElement().toString();\r
-              Hashtable content = (Hashtable) features.remove(type);\r
-              Enumeration j = content.keys();\r
-              while (j.hasMoreElements())\r
-              {\r
-                String desc = j.nextElement().toString();\r
-                String ns = content.get(desc).toString();\r
-                char[] byChar = ns.toCharArray();\r
-                for (int k = 0; k < byChar.length; k++)\r
-                {\r
-                  char c = byChar[k];\r
-                  if (!(c == ' ' || c == '_' || c == '-' || c == '.')) // PFAM uses '.' for feature background\r
-                  {\r
-                    int new_pos = posmap[k]; // look up nearest seqeunce position to this column\r
-                    SequenceFeature feat = new SequenceFeature(type, desc,\r
-                            new_pos, new_pos, 0f, null);\r
-\r
-                    seqO.addSequenceFeature(feat);\r
-                  }\r
-                }\r
-              }\r
-\r
-            }\r
-            \r
-          }\r
-          // garbage collect\r
-          \r
-          // logger.debug("Adding seq " + acc + " from " + start + " to " + end\r
-          // + ": " + seq);\r
-          this.seqs.addElement(seqO);\r
-        }\r
-      }\r
-      else if (!r.search(line))\r
-      {\r
-        // System.err.println("Found sequence line: " + line);\r
+               // We define some Regexes here that will be used regularily later\r
+               rend = new Regex("^\\s*\\/\\/"); // Find the end of an alignment\r
+               p = new Regex("(\\S+)\\/(\\d+)\\-(\\d+)"); // split sequence id in\r
+               // id/from/to\r
+               s = new Regex("(\\S+)\\s+(\\S*)\\s+(.*)"); // Parses annotation subtype\r
+               r = new Regex("#=(G[FSRC]?)\\s+(.*)"); // Finds any annotation line\r
+               x = new Regex("(\\S+)\\s+(\\S+)"); // split id from sequence\r
 \r
-        // Split sequence in sequence and accession parts\r
-        if (!x.search(line))\r
-        {\r
-          // logger.error("Could not parse sequence line: " + line);\r
-          throw new IOException("Could not parse sequence line: " + line);\r
-        }\r
-        String ns = (String) seqs.get(x.stringMatched(1));\r
-        if (ns == null)\r
-        {\r
-          ns = "";\r
-        }\r
-        ns += x.stringMatched(2);\r
+               // Convert all bracket types to parentheses (necessary for passing to VARNA)\r
+               Regex openparen = new Regex("(<|\\[)", "(");\r
+               Regex closeparen = new Regex("(>|\\])", ")");\r
 \r
-        seqs.put(x.stringMatched(1), ns);\r
-      }\r
-      else\r
-      {\r
-        String annType = r.stringMatched(1);\r
-        String annContent = r.stringMatched(2);\r
+               // Detect if file is RNA by looking for bracket types\r
+               Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))");\r
 \r
-        // System.err.println("type:" + annType + " content: " + annContent);\r
+               rend.optimize();\r
+           p.optimize();\r
+           s.optimize();\r
+           r.optimize();\r
+           x.optimize();\r
+           openparen.optimize();\r
+           closeparen.optimize();\r
+       \r
+           while ((line = nextLine()) != null)\r
+           {\r
+             if (line.length() == 0)\r
+             {\r
+               continue;\r
+             }\r
+             if (rend.search(line))\r
+             {\r
+               // End of the alignment, pass stuff back\r
+        this.noSeqs = seqs.size();
+       \r
+        String seqdb,dbsource = null;
+        Regex pf = new Regex("PF[0-9]{5}(.*)"); // Finds AC for Pfam
+        Regex rf = new Regex("RF[0-9]{5}(.*)"); // Finds AC for Rfam
+        if (getAlignmentProperty("AC") != null)
+        {
+          String dbType = getAlignmentProperty("AC").toString();
+          if (pf.search(dbType))
+          {
+            // PFAM Alignment - so references are typically from Uniprot
+            dbsource = "PFAM";
+          }
+          else if (rf.search(dbType))
+          {
+            dbsource = "RFAM";
+          }
+        }
+               // logger.debug("Number of sequences: " + this.noSeqs);\r
+               Enumeration accs = seqs.keys();\r
+               while (accs.hasMoreElements())\r
+               {\r
+                 String acc = (String) accs.nextElement();\r
+                 // logger.debug("Processing sequence " + acc);\r
+                 String seq = (String) seqs.remove(acc);\r
+                 if (maxLength < seq.length())\r
+                 {\r
+                   maxLength = seq.length();\r
+                 }\r
+                 int start = 1;\r
+                 int end = -1;\r
+                 String sid = acc;\r
+                 /*\r
+           * Retrieve hash of annotations for this accession Associate
+           * Annotation with accession
+                  */\r
+                 Hashtable accAnnotations = null;\r
+       \r
+                 if (seqAnn != null && seqAnn.containsKey(acc))\r
+                 {\r
+                   accAnnotations = (Hashtable) seqAnn.remove(acc);\r
+                   //TODO: add structures to sequence\r
+                 }\r
+       \r
+                 // Split accession in id and from/to\r
+                 if (p.search(acc))\r
+                 {\r
+                   sid = p.stringMatched(1);\r
+                   start = Integer.parseInt(p.stringMatched(2));\r
+                   end = Integer.parseInt(p.stringMatched(3));\r
+                 }\r
+                 // logger.debug(sid + ", " + start + ", " + end);\r
+       \r
+                 Sequence seqO = new Sequence(sid, seq, start, end);\r
+                 // Add Description (if any)\r
+                 if (accAnnotations != null && accAnnotations.containsKey("DE"))\r
+                 {\r
+                   String desc = (String) accAnnotations.get("DE");\r
+                   seqO.setDescription((desc == null) ? "" : desc);\r
+                 }\r
+                 // Add DB References (if any)\r
+                 if (accAnnotations != null && accAnnotations.containsKey("DR"))\r
+                 {\r
+                   String dbr = (String) accAnnotations.get("DR");\r
+                   if (dbr != null && dbr.indexOf(";") > -1)\r
+                   {\r
+                     String src = dbr.substring(0, dbr.indexOf(";"));\r
+                     String acn = dbr.substring(dbr.indexOf(";") + 1);\r
+                     jalview.util.DBRefUtils.parseToDbRef(seqO, src, "0", acn);\r
+                   }\r
+                 }        \r
+
+          if (accAnnotations != null && accAnnotations.containsKey("AC"))
+          {
+            if (dbsource != null)
+            {
+              String dbr = (String) accAnnotations.get("AC");
+              if (dbr != null)
+                 {\r
+                // we could get very clever here - but for now - just try to guess accession type from source of alignment plus structure of accession
+                guessDatabaseFor(seqO, dbr, dbsource);
+                         \r
+                           }\r
+                 }\r
+            // else - do what ?  add the data anyway and prompt the user to specify what references these are ?
+          }
+               \r
+                 Hashtable features = null;\r
+                 // We need to adjust the positions of all features to account for gaps\r
+                 try\r
+                 {\r
+                   features = (Hashtable) accAnnotations.remove("features");\r
+                 } catch (java.lang.NullPointerException e)\r
+                 {\r
+                   // loggerwarn("Getting Features for " + acc + ": " +\r
+                   // e.getMessage());\r
+                   // continue;\r
+                 }\r
+                 // if we have features\r
+                 if (features != null)\r
+                 {\r
+                   int posmap[] = seqO.findPositionMap();\r
+                   Enumeration i = features.keys();\r
+                   while (i.hasMoreElements())\r
+                   {\r
+                     // TODO: parse out secondary structure annotation as annotation\r
+                     // row\r
+                     // TODO: parse out scores as annotation row\r
+                     // TODO: map coding region to core jalview feature types\r
+                     String type = i.nextElement().toString();\r
+                     Hashtable content = (Hashtable) features.remove(type);\r
+
+              // add alignment annotation for this feature
+              String key = type2id(type);
+              if (key != null)
+              {
+                if (accAnnotations != null
+                        && accAnnotations.containsKey(key))
+                {
+                  Vector vv = (Vector) accAnnotations.get(key);
+                  for (int ii = 0; ii < vv.size(); ii++)
+                  {
+                    AlignmentAnnotation an = (AlignmentAnnotation) vv
+                            .elementAt(ii);
+                    seqO.addAlignmentAnnotation(an);
+                  }
+                }
+              }
+
+                     Enumeration j = content.keys();\r
+                     while (j.hasMoreElements())\r
+                     {\r
+                       String desc = j.nextElement().toString();\r
+                       String ns = content.get(desc).toString();\r
+                       char[] byChar = ns.toCharArray();\r
+                       for (int k = 0; k < byChar.length; k++)\r
+                       {\r
+                         char c = byChar[k];\r
+                         if (!(c == ' ' || c == '_' || c == '-' || c == '.')) // PFAM\r
+                         // uses\r
+                         // '.'\r
+                         // for\r
+                         // feature\r
+                         // background\r
+                         {\r
+                           int new_pos = posmap[k]; // look up nearest seqeunce\r
+                           // position to this column\r
+                           SequenceFeature feat = new SequenceFeature(type, desc,\r
+                                   new_pos, new_pos, 0f, null);\r
+       \r
+                           seqO.addSequenceFeature(feat);\r
+                         }\r
+                       }\r
+                     }\r
+       \r
+                   }\r
+       \r
+                 }\r
+                 // garbage collect\r
+       \r
+                 // logger.debug("Adding seq " + acc + " from " + start + " to " + end\r
+                 // + ": " + seq);\r
+                 this.seqs.addElement(seqO);\r
+               }\r
+               return; // finished parsing this segment of source\r
+             }\r
+             else if (!r.search(line))\r
+             {\r
+               // System.err.println("Found sequence line: " + line);\r
+       \r
+               // Split sequence in sequence and accession parts\r
+               if (!x.search(line))\r
+               {\r
+                 // logger.error("Could not parse sequence line: " + line);\r
+                 throw new IOException("Could not parse sequence line: " + line);\r
+               }\r
+               String ns = (String) seqs.get(x.stringMatched(1));\r
+               if (ns == null)\r
+               {\r
+                 ns = "";\r
+               }\r
+               ns += x.stringMatched(2);\r
+       \r
+               seqs.put(x.stringMatched(1), ns);\r
+             }\r
+             else\r
+             {\r
+               String annType = r.stringMatched(1);\r
+               String annContent = r.stringMatched(2);\r
+       \r
+               // System.err.println("type:" + annType + " content: " + annContent);\r
+       \r
+               if (annType.equals("GF"))\r
+               {\r
+                 /*\r
+                  * Generic per-File annotation, free text Magic features: #=GF NH\r
+                  * <tree in New Hampshire eXtended format> #=GF TN <Unique identifier\r
+                  * for the next tree> Pfam descriptions: 7. DESCRIPTION OF FIELDS\r
+                  * \r
+                  * Compulsory fields: ------------------\r
+                  * \r
+                  * AC Accession number: Accession number in form PFxxxxx.version or\r
+                  * PBxxxxxx. ID Identification: One word name for family. DE\r
+                  * Definition: Short description of family. AU Author: Authors of the\r
+                  * entry. SE Source of seed: The source suggesting the seed members\r
+                  * belong to one family. GA Gathering method: Search threshold to\r
+                  * build the full alignment. TC Trusted Cutoff: Lowest sequence score\r
+                  * and domain score of match in the full alignment. NC Noise Cutoff:\r
+                  * Highest sequence score and domain score of match not in full\r
+                  * alignment. TP Type: Type of family -- presently Family, Domain,\r
+                  * Motif or Repeat. SQ Sequence: Number of sequences in alignment. AM\r
+                  * Alignment Method The order ls and fs hits are aligned to the model\r
+                  * to build the full align. // End of alignment.\r
+                  * \r
+                  * Optional fields: ----------------\r
+                  * \r
+                  * DC Database Comment: Comment about database reference. DR Database\r
+                  * Reference: Reference to external database. RC Reference Comment:\r
+                  * Comment about literature reference. RN Reference Number: Reference\r
+                  * Number. RM Reference Medline: Eight digit medline UI number. RT\r
+                  * Reference Title: Reference Title. RA Reference Author: Reference\r
+                  * Author RL Reference Location: Journal location. PI Previous\r
+                  * identifier: Record of all previous ID lines. KW Keywords: Keywords.\r
+                  * CC Comment: Comments. NE Pfam accession: Indicates a nested domain.\r
+                  * NL Location: Location of nested domains - sequence ID, start and\r
+                  * end of insert.\r
+                  * \r
+                  * Obsolete fields: ----------- AL Alignment method of seed: The\r
+                  * method used to align the seed members.\r
+                  */\r
+                 // Let's save the annotations, maybe we'll be able to do something\r
+                 // with them later...\r
+                 Regex an = new Regex("(\\w+)\\s*(.*)");\r
+                 if (an.search(annContent))\r
+                 {\r
+                   if (an.stringMatched(1).equals("NH"))\r
+                   {\r
+                     treeString.append(an.stringMatched(2));\r
+                   }\r
+                   else if (an.stringMatched(1).equals("TN"))\r
+                   {\r
+                     if (treeString.length() > 0)\r
+                     {\r
+                       if (treeName == null)\r
+                       {\r
+                         treeName = "Tree " + (getTreeCount() + 1);\r
+                       }\r
+                       addNewickTree(treeName, treeString.toString());\r
+                     }\r
+                     treeName = an.stringMatched(2);\r
+                     treeString = new StringBuffer();\r
+                   }\r
+                   setAlignmentProperty(an.stringMatched(1), an.stringMatched(2));\r
+                 }\r
+               }\r
+               else if (annType.equals("GS"))\r
+               {\r
+                 // Generic per-Sequence annotation, free text\r
+                 /*\r
+                  * Pfam uses these features: Feature Description ---------------------\r
+                  * ----------- AC <accession> ACcession number DE <freetext>\r
+                  * DEscription DR <db>; <accession>; Database Reference OS <organism>\r
+                  * OrganiSm (species) OC <clade> Organism Classification (clade, etc.)\r
+                  * LO <look> Look (Color, etc.)\r
+                  */\r
+                 if (s.search(annContent))\r
+                 {\r
+                   String acc = s.stringMatched(1);\r
+                   String type = s.stringMatched(2);\r
+                   String content = s.stringMatched(3);\r
+                   // TODO: store DR in a vector.\r
+                   // TODO: store AC according to generic file db annotation.\r
+                   Hashtable ann;\r
+                   if (seqAnn.containsKey(acc))\r
+                   {\r
+                     ann = (Hashtable) seqAnn.get(acc);\r
+                   }\r
+                   else\r
+                   {\r
+                     ann = new Hashtable();\r
+                   }\r
+                   ann.put(type, content);\r
+                   seqAnn.put(acc, ann);\r
+                 }\r
+                 else\r
+                 {\r
+                   throw new IOException("Error parsing " + line);\r
+                 }\r
+               }\r
+               else if (annType.equals("GC"))\r
+               {\r
+                 // Generic per-Column annotation, exactly 1 char per column\r
+                 // always need a label.\r
+                 if (x.search(annContent))\r
+                 {\r
+                   // parse out and create alignment annotation directly.\r
+                   parseAnnotationRow(annotations, x.stringMatched(1),\r
+                           x.stringMatched(2));\r
+                 }\r
+               }\r
+               else if (annType.equals("GR"))\r
+               {\r
+                 // Generic per-Sequence AND per-Column markup, exactly 1 char per\r
+                 // column\r
+                 /*\r
+                  * Feature Description Markup letters ------- -----------\r
+                  * -------------- SS Secondary Structure [HGIEBTSCX] SA Surface\r
+                  * Accessibility [0-9X] (0=0%-10%; ...; 9=90%-100%) TM TransMembrane\r
+                  * [Mio] PP Posterior Probability [0-9*] (0=0.00-0.05; 1=0.05-0.15;\r
+                  * *=0.95-1.00) LI LIgand binding [*] AS Active Site [*] IN INtron (in\r
+                  * or after) [0-2]\r
+                  */\r
+                 if (s.search(annContent))\r
+                 {\r
+                   String acc = s.stringMatched(1);\r
+                   String type = s.stringMatched(2);\r
+                   String seq = new String(s.stringMatched(3));\r
+                   String description = null;\r
+                   // Check for additional information about the current annotation\r
+                   // We use a simple string tokenizer here for speed\r
+                   StringTokenizer sep = new StringTokenizer(seq, " \t");\r
+                   description = sep.nextToken();\r
+                   if (sep.hasMoreTokens())\r
+                   {\r
+                     seq = sep.nextToken();\r
+                   }\r
+                   else\r
+                   {\r
+                     seq = description;\r
+                     description = new String();\r
+                   }\r
+                   // sequence id with from-to fields\r
+       \r
+                   Hashtable ann;\r
+                   // Get an object with all the annotations for this sequence\r
+                   if (seqAnn.containsKey(acc))\r
+                   {\r
+                     // logger.debug("Found annotations for " + acc);\r
+                     ann = (Hashtable) seqAnn.get(acc);\r
+                   }\r
+                   else\r
+                   {\r
+                     // logger.debug("Creating new annotations holder for " + acc);\r
+                     ann = new Hashtable();\r
+                     seqAnn.put(acc, ann);\r
+                   }\r
+            // TODO test structure, call parseAnnotationRow with vector from
+            // hashtable for specific sequence
+                   Hashtable features;\r
+                   // Get an object with all the content for an annotation\r
+                   if (ann.containsKey("features"))\r
+                   {\r
+                     // logger.debug("Found features for " + acc);\r
+                     features = (Hashtable) ann.get("features");\r
+                   }\r
+                   else\r
+                   {\r
+                     // logger.debug("Creating new features holder for " + acc);\r
+                     features = new Hashtable();\r
+                     ann.put("features", features);\r
+                   }\r
+       \r
+                   Hashtable content;\r
+                   if (features.containsKey(this.id2type(type)))\r
+                   {\r
+                     // logger.debug("Found content for " + this.id2type(type));\r
+                     content = (Hashtable) features.get(this.id2type(type));\r
+                   }\r
+                   else\r
+                   {\r
+                     // logger.debug("Creating new content holder for " +\r
+                     // this.id2type(type));\r
+                     content = new Hashtable();\r
+                     features.put(this.id2type(type), content);\r
+                   }\r
+                   String ns = (String) content.get(description);\r
+                   if (ns == null)\r
+                   {\r
+                     ns = "";\r
+                   }\r
+                   ns += seq;\r
+                   content.put(description, ns);\r
+       
+//                 if(type.equals("SS")){\r
+                       Hashtable strucAnn;\r
+                       if (seqAnn.containsKey(acc))\r
+                       {\r
+                         strucAnn = (Hashtable) seqAnn.get(acc);\r
+                       }\r
+                       else\r
+                       {\r
+                         strucAnn = new Hashtable();\r
+                       }\r
+                       \r
+                       Vector newStruc=new Vector();\r
+                       parseAnnotationRow(newStruc, type,ns);\r
+                       \r
+                       strucAnn.put(type, newStruc);\r
+                       seqAnn.put(acc, strucAnn);\r
+                    }\r
+//               }\r
+                       else\r
+                       {\r
+                                               System.err\r
+                                               .println("Warning - couldn't parse sequence annotation row line:\n"\r
+                                               + line);\r
+                       // throw new IOException("Error parsing " + line);\r
+                       }\r
+                       }\r
+                       else\r
+                       {\r
+                       throw new IOException("Unknown annotation detected: " + annType\r
+                               + " " + annContent);\r
+                       }\r
+                       }\r
+               }\r
+               if (treeString.length() > 0)\r
+               {\r
+               if (treeName == null)\r
+               {\r
+                       treeName = "Tree " + (1 + getTreeCount());\r
+               }\r
+               addNewickTree(treeName, treeString.toString());\r
+               }\r
+       }\r
 \r
-        if (annType.equals("GF"))\r
+/**\r
+   * Demangle an accession string and guess the originating sequence database for a given sequence\r
+   * @param seqO sequence to be annotated\r
+   * @param dbr Accession string for sequence\r
+   * @param dbsource source database for alignment (PFAM or RFAM)\r
+   */\r
+  private void guessDatabaseFor(Sequence seqO, String dbr, String dbsource)\r
+  {\r
+    DBRefEntry dbrf=null;\r
+    List<DBRefEntry> dbrs=new ArrayList<DBRefEntry>();\r
+    String seqdb="Unknown",sdbac=""+dbr;\r
+    int st=-1,en=-1,p;\r
+    if ((st=sdbac.indexOf("/"))>-1)\r
+    {\r
+      String num,range=sdbac.substring(st+1);\r
+      sdbac = sdbac.substring(0,st);\r
+      if ((p=range.indexOf("-"))>-1)\r
+      {\r
+        p++;\r
+        if (p<range.length())\r
         {\r
-          /*\r
-           * Generic per-File annotation, free text Magic features: #=GF NH\r
-           * <tree in New Hampshire eXtended format> #=GF TN <Unique identifier\r
-           * for the next tree> Pfam descriptions: 7. DESCRIPTION OF FIELDS\r
-           * \r
-           * Compulsory fields: ------------------\r
-           * \r
-           * AC Accession number: Accession number in form PFxxxxx.version or\r
-           * PBxxxxxx. ID Identification: One word name for family. DE\r
-           * Definition: Short description of family. AU Author: Authors of the\r
-           * entry. SE Source of seed: The source suggesting the seed members\r
-           * belong to one family. GA Gathering method: Search threshold to\r
-           * build the full alignment. TC Trusted Cutoff: Lowest sequence score\r
-           * and domain score of match in the full alignment. NC Noise Cutoff:\r
-           * Highest sequence score and domain score of match not in full\r
-           * alignment. TP Type: Type of family -- presently Family, Domain,\r
-           * Motif or Repeat. SQ Sequence: Number of sequences in alignment. AM\r
-           * Alignment Method The order ls and fs hits are aligned to the model\r
-           * to build the full align. // End of alignment.\r
-           * \r
-           * Optional fields: ----------------\r
-           * \r
-           * DC Database Comment: Comment about database reference. DR Database\r
-           * Reference: Reference to external database. RC Reference Comment:\r
-           * Comment about literature reference. RN Reference Number: Reference\r
-           * Number. RM Reference Medline: Eight digit medline UI number. RT\r
-           * Reference Title: Reference Title. RA Reference Author: Reference\r
-           * Author RL Reference Location: Journal location. PI Previous\r
-           * identifier: Record of all previous ID lines. KW Keywords: Keywords.\r
-           * CC Comment: Comments. NE Pfam accession: Indicates a nested domain.\r
-           * NL Location: Location of nested domains - sequence ID, start and\r
-           * end of insert.\r
-           * \r
-           * Obsolete fields: ----------- AL Alignment method of seed: The\r
-           * method used to align the seed members.\r
-           */\r
-          // Let's save the annotations, maybe we'll be able to do something\r
-          // with them later...\r
-          Regex an = new Regex("(\\w+)\\s*(.*)");\r
-          if (an.search(annContent))\r
-          {\r
-            if (an.stringMatched(1).equals("NH"))\r
-            {\r
-              treeString.append(an.stringMatched(2));\r
-            }\r
-            else if (an.stringMatched(1).equals("TN"))\r
-            {\r
-              if (treeString.length() > 0)\r
-              {\r
-                if (treeName == null)\r
-                {\r
-                  treeName = "Tree " + (getTreeCount() + 1);\r
-                }\r
-                addNewickTree(treeName, treeString.toString());\r
-              }\r
-              treeName = an.stringMatched(2);\r
-              treeString = new StringBuffer();\r
-            }\r
-            setAlignmentProperty(an.stringMatched(1), an.stringMatched(2));\r
-          }\r
-        }\r
-        else if (annType.equals("GS"))\r
+        num = range.substring(p).trim();\r
+        try {\r
+          en = Integer.parseInt(num);\r
+        } catch (NumberFormatException x)\r
         {\r
-          // Generic per-Sequence annotation, free text\r
-          /*\r
-           * Pfam uses these features: Feature Description ---------------------\r
-           * ----------- AC <accession> ACcession number DE <freetext>\r
-           * DEscription DR <db>; <accession>; Database Reference OS <organism>\r
-           * OrganiSm (species) OC <clade> Organism Classification (clade, etc.)\r
-           * LO <look> Look (Color, etc.)\r
-           */\r
-          if (s.search(annContent))\r
-          {\r
-            String acc = s.stringMatched(1);\r
-            String type = s.stringMatched(2);\r
-            String content = s.stringMatched(3);\r
-            // TODO: store DR in a vector.\r
-            // TODO: store AC according to generic file db annotation.\r
-            Hashtable ann;\r
-            if (seqAnn.containsKey(acc))\r
-            {\r
-              ann = (Hashtable) seqAnn.get(acc);\r
-            }\r
-            else\r
-            {\r
-              ann = new Hashtable();\r
-            }\r
-            ann.put(type, content);\r
-            seqAnn.put(acc, ann);\r
-          }\r
-          else\r
-          {\r
-            throw new IOException("Error parsing " + line);\r
-          }\r
+          // could warn here that index is invalid\r
+          en = -1;\r
         }\r
-        else if (annType.equals("GC"))\r
-        {\r
-          // Generic per-Column annotation, exactly 1 char per column\r
-          // always need a label.\r
-          if (x.search(annContent))\r
-          {\r
-            // parse out and create alignment annotation directly.\r
-            parseAnnotationRow(annotations, x.stringMatched(1), x\r
-                    .stringMatched(2));\r
-          }\r
         }\r
-        else if (annType.equals("GR"))\r
+      } else {\r
+        p=range.length();\r
+      }\r
+      num=range.substring(0,p).trim();\r
+      try {\r
+        st = Integer.parseInt(num);\r
+      } catch (NumberFormatException x)\r
+      {\r
+        // could warn here that index is invalid\r
+        st = -1;\r
+      }\r
+    }\r
+    if (dbsource.equals("PFAM")) {\r
+      seqdb = "UNIPROT";\r
+      if (sdbac.indexOf(".")>-1)\r
+      {\r
+        // strip of last subdomain\r
+        sdbac = sdbac.substring(0,sdbac.indexOf("."));\r
+        dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, seqdb, dbsource, sdbac);\r
+        if (dbrf!=null)\r
         {\r
-          // Generic per-Sequence AND per-Column markup, exactly 1 char per\r
-          // column\r
-          /*\r
-           * Feature Description Markup letters ------- -----------\r
-           * -------------- SS Secondary Structure [HGIEBTSCX] SA Surface\r
-           * Accessibility [0-9X] (0=0%-10%; ...; 9=90%-100%) TM TransMembrane\r
-           * [Mio] PP Posterior Probability [0-9*] (0=0.00-0.05; 1=0.05-0.15;\r
-           * *=0.95-1.00) LI LIgand binding [*] AS Active Site [*] IN INtron (in\r
-           * or after) [0-2]\r
-           */\r
-          if (s.search(annContent))\r
-          {\r
-            String acc = s.stringMatched(1);\r
-            String type = s.stringMatched(2);\r
-            String seq = new String(s.stringMatched(3));\r
-            String description = null;\r
-            // Check for additional information about the current annotation\r
-            // We use a simple  string tokenizer here for speed\r
-            StringTokenizer sep = new StringTokenizer(seq," \t");\r
-            description = sep.nextToken();\r
-            if (sep.hasMoreTokens())\r
-            {\r
-              seq = sep.nextToken();\r
-            } else {\r
-              seq = description;\r
-              description = new String();\r
-            }\r
-            // sequence id with from-to fields\r
-\r
-            Hashtable ann;\r
-            // Get an object with all the annotations for this sequence\r
-            if (seqAnn.containsKey(acc))\r
-            {\r
-              // logger.debug("Found annotations for " + acc);\r
-              ann = (Hashtable) seqAnn.get(acc);\r
-            }\r
-            else\r
-            {\r
-              // logger.debug("Creating new annotations holder for " + acc);\r
-              ann = new Hashtable();\r
-              seqAnn.put(acc, ann);\r
-            }\r
-\r
-            Hashtable features;\r
-            // Get an object with all the content for an annotation\r
-            if (ann.containsKey("features"))\r
-            {\r
-              // logger.debug("Found features for " + acc);\r
-              features = (Hashtable) ann.get("features");\r
-            }\r
-            else\r
-            {\r
-              // logger.debug("Creating new features holder for " + acc);\r
-              features = new Hashtable();\r
-              ann.put("features", features);\r
-            }\r
-\r
-            Hashtable content;\r
-            if (features.containsKey(this.id2type(type)))\r
-            {\r
-              // logger.debug("Found content for " + this.id2type(type));\r
-              content = (Hashtable) features.get(this.id2type(type));\r
-            }\r
-            else\r
-            {\r
-              // logger.debug("Creating new content holder for " +\r
-              // this.id2type(type));\r
-              content = new Hashtable();\r
-              features.put(this.id2type(type), content);\r
-            }\r
-            String ns = (String) content.get(description);\r
-            if (ns == null)\r
-            {\r
-              ns = "";\r
-            }\r
-            ns += seq;\r
-            content.put(description, seq);\r
-          }\r
-          else\r
-          {\r
-            System.err.println("Warning - couldn't parse sequence annotation row line:\n"+line);\r
-            // throw new IOException("Error parsing " + line);\r
-          }\r
+          dbrs.add(dbrf);\r
         }\r
-        else\r
+      }\r
+      dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, dbsource, dbsource, dbr);\r
+      if (dbr!=null)\r
+      {\r
+        dbrs.add(dbrf);\r
+      }\r
+    } else {\r
+      seqdb = "EMBL"; // total guess - could be ENA, or something else these days\r
+      if (sdbac.indexOf(".")>-1)\r
+      {\r
+        // strip off last subdomain\r
+        sdbac = sdbac.substring(0,sdbac.indexOf("."));\r
+        dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, seqdb, dbsource, sdbac);\r
+        if (dbrf!=null)\r
         {\r
-          throw new IOException("Unknown annotation detected: " + annType\r
-                  + " " + annContent);\r
+          dbrs.add(dbrf);\r
         }\r
       }\r
+      \r
+      dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, dbsource, dbsource, dbr);\r
+      if (dbrf!=null)\r
+      {\r
+        dbrs.add(dbrf);\r
+      }\r
     }\r
-    if (treeString.length() > 0)\r
+    if (st!=-1 && en!=-1)\r
     {\r
-      if (treeName == null)\r
+      for (DBRefEntry d:dbrs)\r
+      {\r
+        jalview.util.MapList mp = new jalview.util.MapList(new int[] { seqO.getStart(),seqO.getEnd()},new int[] { st,en},1,1);\r
+        jalview.datamodel.Mapping mping = new Mapping(mp);\r
+        d.setMap(mping);\r
+      }\r
+    }\r
+  }\r
+\r
+\r
+  /**\r
+   * Parse a file in Stockholm format into Jalview's data model using VARNA\r
+   * \r
+   * @throws IOException\r
+   *           If there is an error with the input file\r
+   */\r
+  public void parse_with_VARNA() throws IOException\r
+  {\r
+    FileReader fr = null;\r
+    fr = new FileReader(inFile);\r
+\r
+    BufferedReader r = new BufferedReader(fr);\r
+    result = null;\r
+    try\r
+    {\r
+      result = RNAFactory.loadSecStrStockholm(r);\r
+    } catch (ExceptionUnmatchedClosingParentheses umcp)\r
+    {\r
+      errormessage = "Unmatched parentheses in annotation. Aborting ("\r
+              + umcp.getMessage() + ")";\r
+      throw new IOException(umcp);\r
+    }\r
+    // DEBUG System.out.println("this is the secondary scructure:"\r
+    // +result.size());\r
+    SequenceI[] seqs = new SequenceI[result.size()];\r
+    String id=null;\r
+    for (int i = 0; i < result.size(); i++)\r
+    {\r
+      // DEBUG System.err.println("Processing i'th sequence in Stockholm file")\r
+      RNA current = result.get(i);\r
+\r
+      String seq = current.getSeq();\r
+      String rna = current.getStructDBN(true);\r
+      // DEBUG System.out.println(seq);\r
+      // DEBUG System.err.println(rna);\r
+      int begin = 0;\r
+      int end = seq.length() - 1;\r
+      id = safeName(getDataName());\r
+      seqs[i] = new Sequence(id, seq, begin, end);\r
+      String[] annot = new String[rna.length()];\r
+      Annotation[] ann = new Annotation[rna.length()];\r
+      for (int j = 0; j < rna.length(); j++)\r
+      {\r
+        annot[j] = rna.substring(j, j + 1);\r
+\r
+      }\r
+\r
+      for (int k = 0; k < rna.length(); k++)\r
       {\r
-        treeName = "Tree " + (1 + getTreeCount());\r
+        ann[k] = new Annotation(annot[k], "",\r
+                jalview.schemes.ResidueProperties.getRNASecStrucState(\r
+                        annot[k]).charAt(0), 0f);\r
+\r
       }\r
-      addNewickTree(treeName, treeString.toString());\r
+      AlignmentAnnotation align = new AlignmentAnnotation("Sec. str.",\r
+              current.getID(), ann);\r
+\r
+      seqs[i].addAlignmentAnnotation(align);\r
+      seqs[i].setRNA(result.get(i));\r
+      this.annotations.addElement(align);\r
     }\r
+    this.setSeqs(seqs);\r
+\r
   }\r
 \r
-  private AlignmentAnnotation parseAnnotationRow(Vector annotation,\r
-          String label, String annots)\r
+  protected static AlignmentAnnotation parseAnnotationRow(\r
+          Vector annotation, String label, String annots)\r
   {\r
-    String type = (label.indexOf("_cons") == label.length() - 5) ? label\r
-            .substring(0, label.length() - 5) : label;\r
+    String convert1, convert2 = null;\r
+\r
+    // Convert all bracket types to parentheses\r
+    Regex openparen = new Regex("(<|\\[)", "(");\r
+    Regex closeparen = new Regex("(>|\\])", ")");\r
+\r
+    // Detect if file is RNA by looking for bracket types\r
+    Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))");\r
+\r
+    convert1 = openparen.replaceAll(annots);\r
+    convert2 = closeparen.replaceAll(convert1);\r
+    annots = convert2;\r
+\r
+    String type = label;\r
+    if (label.contains("_cons"))\r
+    {\r
+      type = (label.indexOf("_cons") == label.length() - 5) ? label\r
+              .substring(0, label.length() - 5) : label;\r
+    }\r
     boolean ss = false;\r
     type = id2type(type);\r
     if (type.equals("secondary structure"))\r
@@ -476,18 +782,28 @@ public class StockholmFile extends AlignFile
     {\r
       String pos = annots.substring(i, i + 1);\r
       Annotation ann;\r
-      ann = new Annotation(pos, "", ' ', Float.NaN);\r
+      ann = new Annotation(pos, "", ' ', 0f); // 0f is 'valid' null - will not\r
+      // be written out\r
       if (ss)\r
       {\r
-        ann.secondaryStructure = jalview.schemes.ResidueProperties\r
-                .getDssp3state(pos).charAt(0);\r
+        if (detectbrackets.search(pos))\r
+        {\r
+          ann.secondaryStructure = jalview.schemes.ResidueProperties\r
+                  .getRNASecStrucState(pos).charAt(0);\r
+        }\r
+        else\r
+        {\r
+          ann.secondaryStructure = jalview.schemes.ResidueProperties\r
+                  .getDssp3state(pos).charAt(0);\r
+        }\r
+\r
         if (ann.secondaryStructure == pos.charAt(0) || pos.charAt(0) == 'C')\r
         {\r
-          ann.displayCharacter = "";\r
+          ann.displayCharacter = ""; // null; // " ";\r
         }\r
         else\r
         {\r
-          ann.displayCharacter += " ";\r
+          ann.displayCharacter = " " + ann.displayCharacter;\r
         }\r
       }\r
 \r
@@ -515,18 +831,216 @@ public class StockholmFile extends AlignFile
               annot.annotations.length);\r
       System.arraycopy(els, 0, anns, annot.annotations.length, els.length);\r
       annot.annotations = anns;\r
+      // System.out.println("else: ");\r
     }\r
     return annot;\r
   }\r
 \r
-  public static String print(SequenceI[] s)\r
+  public String print(SequenceI[] s)
+  {
+    // find max length of id
+    int max = 0;
+    int maxid = 0;
+    int in = 0;
+    Hashtable dataRef = null;
+    while ((in < s.length) && (s[in] != null))
+    {
+      String tmp = printId(s[in]);
+      if (s[in].getSequence().length > max)
+      {
+        max = s[in].getSequence().length;
+      }
+
+      if (tmp.length() > maxid)
+      {
+        maxid = tmp.length();
+      }
+      if (s[in].getDBRef() != null)
+      {
+        for (int idb = 0; idb < s[in].getDBRef().length; idb++)
+        {
+          if (dataRef == null)
+            dataRef = new Hashtable();
+
+          String datAs1 = s[in].getDBRef()[idb].getSource().toString()
+                  + " ; "
+                  + s[in].getDBRef()[idb].getAccessionId().toString();
+          dataRef.put(tmp, datAs1);
+        }
+      }
+      in++;
+    }
+    maxid += 9;
+    int i = 0;
+
+    // output database type
+    if (al.getProperties() != null)
+    {
+      if (!al.getProperties().isEmpty())
+      {
+        Enumeration key = al.getProperties().keys();
+        Enumeration val = al.getProperties().elements();
+        while (key.hasMoreElements())
+        {
+          out.append("#=GF " + key.nextElement() + " " + val.nextElement());
+          out.append(newline);
+        }
+      }
+    }
+
+    // output database accessions
+    if (dataRef != null)
+    {
+      Enumeration en = dataRef.keys();
+      while (en.hasMoreElements())
+      {
+        Object idd = en.nextElement();
+        String type = (String) dataRef.remove(idd);
+        out.append(new Format("%-" + (maxid - 2) + "s").form("#=GS "
+                + idd.toString() + " "));
+        if (type.contains("PFAM") || type.contains("RFAM"))
+        {
+
+          out.append(" AC " + type.substring(type.indexOf(";") + 1));
+        }
+        else
+        {
+          out.append(" DR " + type + " ");
+        }
+        out.append(newline);
+      }
+    }
+
+    // output annotations
+    while (i < s.length && s[i] != null)
+    {
+      if (s[i].getDatasetSequence() != null)
+      {
+        SequenceI ds = s[i].getDatasetSequence();
+        AlignmentAnnotation[] alAnot;
+        Annotation[] ann;
+        Annotation annot;
+        alAnot = s[i].getAnnotation();
+        String feature = "";
+        if (alAnot != null)
+        {
+          for (int j = 0; j < alAnot.length; j++)
+          {
+            if (ds.getSequenceFeatures() != null)
+            {
+              feature = ds.getSequenceFeatures()[0].type;
+            }
+            String key = type2id(feature);
+
+            if (key == null)
+              continue;
+
+            // out.append("#=GR ");
+            out.append(new Format("%-" + maxid + "s").form("#=GR "
+                    + printId(s[i]) + " " + key + " "));
+            ann = alAnot[j].annotations;
+            String seq = "";
+            for (int k = 0; k < ann.length; k++)
+            {
+              annot = ann[k];
+              String ch = (annot == null) ? Character.toString(s[i]
+                      .getCharAt(k)) : annot.displayCharacter;
+              if (ch.length() == 0)
+              {
+                if (key.equals("SS"))
+                {
+                  char ll = annot.secondaryStructure;
+                  seq = (Character.toString(ll).equals(" ")) ? seq + "C"
+                          : seq + ll;
+                }
+                else
+                {
+                  seq += ".";
+                }
+              }
+              else if (ch.length() == 1)
+              {
+                seq += ch;
+              }
+              else if (ch.length() > 1)
+              {
+                seq += ch.charAt(1);
+              }
+            }
+            out.append(seq);
+            out.append(newline);
+          }
+        }
+      }
+
+      out.append(new Format("%-" + maxid + "s").form(printId(s[i]) + " "));
+      out.append(s[i].getSequenceAsString());
+      out.append(newline);
+      i++;
+    }
+
+    // alignment annotation
+    AlignmentAnnotation aa;
+    if (al.getAlignmentAnnotation() != null)
+    {
+      for (int ia = 0; ia < al.getAlignmentAnnotation().length; ia++)
+      {
+        aa = al.getAlignmentAnnotation()[ia];
+        if (aa.autoCalculated || !aa.visible)
+        {
+          continue;
+        }
+        String seq = "";
+        String label;
+
+        if (aa.label.equals("seq"))
+          label = "seq_cons";
+        else
+          label = type2id(aa.label.toLowerCase()) + "_cons";
+
+        if (label == null)
+          label = aa.label;
+
+        out.append(new Format("%-" + maxid + "s").form("#=GC " + label
+                + " "));
+        for (int j = 0; j < aa.annotations.length; j++)
+        {
+          String ch = (aa.annotations[j] == null) ? "-"
+                  : aa.annotations[j].displayCharacter;
+          if (ch.length() == 0)
+          {
+            char ll = aa.annotations[j].secondaryStructure;
+            if (Character.toString(ll).equals(" "))
+              seq += "C";
+            else
+              seq += ll;
+          }
+          else if (ch.length() == 1)
+          {
+            seq += ch;
+          }
+          else if (ch.length() > 1)
   {\r
-    return "not yet implemented";\r
+            seq += ch.charAt(1);
+          }
+        }
+        out.append(seq);
+        out.append(newline);
+      }
+    }
+    return out.toString();
   }\r
 \r
   public String print()\r
   {\r
-    return print(getSeqsAsArray());\r
+    out = new StringBuffer();
+    out.append("# STOCKHOLM 1.0");
+    out.append(newline);
+    print(getSeqsAsArray());
+
+    out.append("//");
+    out.append(newline);
+    return out.toString();
   }\r
 \r
   private static Hashtable typeIds = null;\r
@@ -554,7 +1068,7 @@ public class StockholmFile extends AlignFile
     }\r
   }\r
 \r
-  private String id2type(String id)\r
+  protected static String id2type(String id)\r
   {\r
     if (typeIds.containsKey(id))\r
     {\r
@@ -564,4 +1078,44 @@ public class StockholmFile extends AlignFile
             + id);\r
     return id;\r
   }\r
+
+  protected static String type2id(String type)
+  {
+    String key = null;
+    Enumeration e = typeIds.keys();
+    while (e.hasMoreElements())
+    {
+      Object ll = e.nextElement();
+      if (typeIds.get(ll).toString().equals(type))
+      {
+        key = (String) ll;
+        break;
+      }
+    }
+    if (key != null)
+    {
+      return (String) key;
+    }
+    System.err.println("Warning : Unknown Stockholm annotation type: "
+            + type);
+    return key;
+  }
+  /**\r
+   * make a friendly ID string.\r
+   * \r
+   * @param dataName\r
+   * @return truncated dataName to after last '/'\r
+   */\r
+  private String safeName(String dataName)\r
+  {\r
+    int b = 0;\r
+    while ((b = dataName.indexOf("/")) > -1 && b < dataName.length())\r
+    {\r
+      dataName = dataName.substring(b + 1).trim();\r
+\r
+    }\r
+    int e = (dataName.length() - dataName.indexOf(".")) + 1;\r
+    dataName = dataName.substring(1, e).trim();\r
+    return dataName;\r
+  }\r
 }\r