From: jprocter <jprocter@compbio.dundee.ac.uk>
Date: Tue, 4 Dec 2012 10:47:44 +0000 (+0000)
Subject: JAL-1028 JAL-674 hooks to call external processing for peptide and nucleic acid seque... 
X-Git-Tag: Jalview_2_9~264
X-Git-Url: http://source.jalview.org/gitweb/?a=commitdiff_plain;h=aa3069cd07bbd5b35b10d5893fa90a59382e5f82;p=jalview.git

JAL-1028 JAL-674 hooks to call external processing for peptide and nucleic acid sequences and map secondary structure annotation onto sequence imported into Jalview
---

diff --git a/src/MCview/PDBfile.java b/src/MCview/PDBfile.java
index 1b3aa8b..8a826a1 100755
--- a/src/MCview/PDBfile.java
+++ b/src/MCview/PDBfile.java
@@ -68,7 +68,7 @@ public class PDBfile extends jalview.io.AlignFile
     id = safeName(getDataName());
 
     chains = new Vector();
-    ArrayList<SequenceI> rna=new ArrayList<SequenceI>();
+    ArrayList<SequenceI> rna=new ArrayList<SequenceI>(), prot=new ArrayList<SequenceI>();
     PDBChain tmpchain;
     String line = null;
     boolean modelFlag = false;
@@ -186,6 +186,8 @@ public class PDBfile extends jalview.io.AlignFile
        if(isRNA(chainseq)==true)
        {
          rna.add(chainseq);
+       } else {
+         prot.add(chainseq);
        }
          
         AlignmentAnnotation[] chainannot = chainseq.getAnnotation();
@@ -209,6 +211,15 @@ public class PDBfile extends jalview.io.AlignFile
         x.printStackTrace();
         
       };
+      if (prot.size()>0)
+      try {
+        processPdbFileWithJmol(prot);
+      } catch (Exception x)
+      {
+        System.err.println("Exceptions when dealing with RNA in pdb file");
+        x.printStackTrace();
+        
+      };
     } catch (OutOfMemoryError er)
     {
       System.out.println("OUT OF MEMORY LOADING PDB FILE");
@@ -222,7 +233,13 @@ public class PDBfile extends jalview.io.AlignFile
       }
     }
   }
-
+  private void processPdbFileWithJmol(ArrayList<SequenceI> prot) throws Exception
+  {
+//    System.out.println("this is a PDB format and RNA sequence");
+    Annotate3D an3d = new Annotate3D();
+    AlignmentI al = an3d.getRNAMLFor(new FileParse(getDataName(),type));
+    replaceMatchingSeqsWith(prot, al, AlignSeq.PEP);
+  }
   private void processPdbFileWithAnnotate3d(ArrayList<SequenceI> rna) throws Exception {
 //    System.out.println("this is a PDB format and RNA sequence");
     Annotate3D an3d = new Annotate3D();