- }
-
- private void processPdbFileWithJmol(ArrayList<SequenceI> prot)
- throws Exception
- {
- try
- {
- Class cl = Class.forName("jalview.ext.jmol.PDBFileWithJmol");
- if (cl != null)
- {
- Object jmf = cl.getConstructor(new Class[]
- { FileParse.class }).newInstance(new Object[]
- { new FileParse(getDataName(), type) });
- Alignment al = new Alignment((SequenceI[]) cl.getMethod(
- "getSeqsAsArray", new Class[]
- {}).invoke(jmf));
- cl.getMethod("addAnnotations", new Class[]
- { Alignment.class }).invoke(jmf, al);
- replaceMatchingSeqsWith(prot, al, AlignSeq.PEP);
- }
- } catch (ClassNotFoundException q)
- {
- }
- }
-
- private void processPdbFileWithAnnotate3d(ArrayList<SequenceI> rna)
- throws Exception
- {
- // System.out.println("this is a PDB format and RNA sequence");
- // note: we use reflection here so that the applet can compile and run
- // without the HTTPClient bits and pieces needed for accessing Annotate3D
- // web service
- try
- {
- Class cl = Class.forName("jalview.ws.jws1.Annotate3D");
- if (cl != null)
- {
- // TODO: use the PDB ID of the structure if one is available, to save
- // bandwidth and avoid uploading the whole structure to the service
- Object annotate3d = cl.getConstructor(new Class[]
- {}).newInstance(new Object[]
- {});
- AlignmentI al = ((AlignmentI) cl.getMethod("getRNAMLFor",
- new Class[]
- { FileParse.class }).invoke(annotate3d, new Object[]
- { new FileParse(getDataName(), type) }));
- replaceMatchingSeqsWith(rna, al, AlignSeq.DNA);
- }
- } catch (ClassNotFoundException x)
- {
- // ignore classnotfounds - occurs in applet
- }
- ;
- }
-
- private void replaceMatchingSeqsWith(ArrayList<SequenceI> ochains,
- AlignmentI al, String dnaOrProtein)
- {
- if (al != null && al.getHeight() > 0)
- {
- ArrayList<SequenceI> matches = new ArrayList<SequenceI>();
- ArrayList<AlignSeq> aligns = new ArrayList<AlignSeq>();
-
- for (SequenceI sq : ochains)
- {
- SequenceI bestm = null;
- AlignSeq bestaseq = null;
- int bestscore = 0;
- for (SequenceI msq : al.getSequences())
- {
- AlignSeq aseq = AlignSeq.doGlobalNWAlignment(msq, sq,
- dnaOrProtein);
- if (bestm == null || aseq.getMaxScore() > bestscore)
- {
- bestscore = aseq.getMaxScore();
- bestaseq = aseq;
- bestm = msq;
- }
- }
- System.out.println("Best Score for " + (matches.size() + 1) + " :"
- + bestscore);
- matches.add(bestm);
- aligns.add(bestaseq);
- al.deleteSequence(bestm);
- }
- for (int p = 0, pSize = seqs.size(); p < pSize; p++)
- {
- SequenceI sq, sp = seqs.get(p);
- int q;
- if ((q = ochains.indexOf(sp)) > -1)
- {
- seqs.set(p, sq = matches.get(q));
- sq.setName(sp.getName());
- sq.setDescription(sp.getDescription());
- sq.transferAnnotation(sp, aligns.get(q).getMappingFromS1(false));
- int inspos = -1;
- for (int ap = 0; ap < annotations.size();)
- {
- if (((AlignmentAnnotation) annotations.get(ap)).sequenceRef == sp)
- {
- if (inspos == -1)
- {
- inspos = ap;
- }
- annotations.remove(ap);
- }
- else
- {
- ap++;
- }
- }
- if (sq.getAnnotation() != null)
- {
- annotations.addAll(inspos, Arrays.asList(sq.getAnnotation()));
- }
- }
- }
- }