Console.debug("Using structure file (from argument) '"
+ structureFile.getAbsolutePath() + "'");
}
+
+ // TRY THIS
+ /*
+ PDBEntry fileEntry = new AssociatePdbFileWithSeq()
+ .associatePdbWithSeq(selectedPdbFileName,
+ DataSourceType.FILE, selectedSequence, true,
+ Desktop.instance);
+
+ sViewer = launchStructureViewer(ssm, new PDBEntry[] { fileEntry },
+ ap, new SequenceI[]
+ { selectedSequence });
+
+ */
+
/* THIS DOESN'T WORK */
else if (seq.getAllPDBEntries() != null
&& seq.getAllPDBEntries().size() > 0)
private String guessPAEFilename()
{
- if (selectedPdbFileName.toLowerCase(Locale.ROOT).endsWith(".pdb"))
+ if (selectedPdbFileName.toLowerCase(Locale.ROOT).endsWith(".pdb")
+ || selectedPdbFileName.toLowerCase(Locale.ROOT)
+ .endsWith(".cif"))
{
String jsonExt = selectedPdbFileName.substring(0,
selectedPdbFileName.length() - 4) + ".json";
.associatePdbWithSeq(selectedPdbFileName,
DataSourceType.FILE, selectedSequence, true,
Desktop.instance);
+ /* LOOK AT
+ public PDBEntry associatePdbWithSeq(String choice, DataSourceType file,
+ SequenceI sequence, boolean prompt,
+ StructureSelectionManagerProvider ssmp)
+ IN AssociatePdbFileWithSeq */
+
+ // DO SOMETHING WITH
+ if (StructureChooser.this.localPdbPaeMatrixFileName != null)
+ {
+
+ }
+ if (StructureChooser.this.combo_tempFacAs
+ .getSelectedItem() != null)
+ {
+
+ }
sViewer = launchStructureViewer(ssm, new PDBEntry[] { fileEntry },
ap, new SequenceI[]
if (ssm != null)
{
String structFile = isStructId ? ssm.findFileForPDBId(id) : id;
- Console.debug("##### AHA! structFile = " + structFile);
- Console.debug("##### structFile "
- + (ssm.isPDBFileRegistered(structFile) ? "IS " : "is NOT ")
- + "registered.");
StructureMapping[] smArray = ssm.getMapping(structFile);
- Console.debug("##### AHA! smArray obtained with " + smArray.length
- + " elements");
try
{
String seqId) throws IOException, ParseException
{
SequenceI sequence = null;
- /* debugging */
- SequenceI[] seqs = pdbAlignment.getSequencesArray();
- if (seqs == null)
- Console.debug("******* sequences is null");
- else
- {
- for (int i = 0; i < seqs.length; i++)
- {
- SequenceI s = seqs[i];
- }
- }
- /* end debug */
if (seqId == null)
{
int seqToGet = index > 0 ? index : 0;
sequence = pdbAlignment.getSequenceAt(seqToGet);
- Console.debug("***** Got sequence at index " + seqToGet + ": "
- + (sequence == null ? null : sequence.getName()));
}
if (sequence == null)
{
JSONObject paeDict = null;
if (paeJson instanceof JSONObject)
{
- Console.debug("***** paeJson is a JSONObject");
paeDict = (JSONObject) paeJson;
}
else if (paeJson instanceof JSONArray)
throws IOException, ParseException
{
boolean someDone = false;
- Console.debug("##### smArray.length=" + smArray.length);
for (StructureMapping sm : smArray)
{
- Console.debug("##### sm[n]=" + sm.getPdbId());
boolean thisDone = importPaeJSONAsContactMatrixToStructure(sm,
paeInput);
- Console.debug("##### thisDone = " + thisDone);
someDone |= thisDone;
}
return someDone;