super(inFile, sourceType, tempfacType);
}
+ public JmolParser(FileParse fp, boolean doXferSettings) throws IOException
+ {
+ super(fp, doXferSettings);
+ }
+
public JmolParser(FileParse fp) throws IOException
{
super(fp);
@Override
public void parse() throws IOException
{
+ parse(true);
+ }
+
+ @Override
+ public void parse(boolean doXferSettings) throws IOException
+ {
setChains(new Vector<PDBChain>());
Viewer jmolModel = getJmolData();
jmolModel.openReader(getDataName(), getDataName(), getReader());
? PDBEntry.Type.MMCIF.toString()
: "PDB");
- transformJmolModelToJalview(jmolModel.ms);
+ transformJmolModelToJalview(jmolModel.ms, doXferSettings);
}
}
return false;
}
- public void transformJmolModelToJalview(ModelSet ms) throws IOException
+ public void transformJmolModelToJalview(ModelSet ms,
+ boolean localDoXferSettings) throws IOException
{
try
{
}
lastID = tmpatom.resNumIns.trim();
}
- if (isParseImmediately())
+ if (isParseImmediately() && localDoXferSettings)
{
// configure parsing settings from the static singleton
xferSettings();
{
try
{
- Console.info("retrieving pAE for " + pdbId);
+ Console.info("Retrieving PAE for " + pdbId);
File paeFile = EBIAlfaFold.fetchAlphaFoldPAE(pdbId, null);
this.setPAEMatrix(paeFile.getAbsolutePath());
} catch (Throwable t)
// add a PAEMatrix if set (either by above or otherwise)
if (hasPAEMatrix())
{
- Alignment al = new Alignment(prot.toArray(new SequenceI[0]));
- EBIAlfaFold.addAlphaFoldPAE(al, new File(this.getPAEMatrix()), 0,
- null, false, false);
-
- if (al.getAlignmentAnnotation() != null)
+ try
{
- for (AlignmentAnnotation alann : al.getAlignmentAnnotation())
+ Alignment al = new Alignment(prot.toArray(new SequenceI[0]));
+ EBIAlfaFold.addAlphaFoldPAE(al, new File(this.getPAEMatrix()), 0,
+ null, false, false, null);
+
+ if (al.getAlignmentAnnotation() != null)
{
- annotations.add(alann);
+ for (AlignmentAnnotation alann : al.getAlignmentAnnotation())
+ {
+ annotations.add(alann);
+ }
}
+ } catch (Throwable ff)
+ {
+ Console.error("Couldn't import PAE Matrix from " + getPAEMatrix(),
+ ff);
+ warningMessage += "Couldn't import PAE Matrix"
+ + getNewlineString() + ff.getLocalizedMessage()
+ + getNewlineString();
}
}
} catch (OutOfMemoryError er)
{
- System.out.println(
+ jalview.bin.Console.outPrintln(
"OUT OF MEMORY LOADING TRANSFORMING JMOL MODEL TO JALVIEW MODEL");
throw new IOException(MessageManager
.getString("exception.outofmemory_loading_mmcif_file"));
org.jmol.modelset.Atom prevAtom,
HashMap<String, org.jmol.modelset.Atom> chainTerMap)
{
- // System.out.println("Atom: " + curAtom.getAtomNumber()
+ // jalview.bin.Console.outPrintln("Atom: " + curAtom.getAtomNumber()
// + " Last atom index " + curAtom.group.lastAtomIndex);
if (chainTerMap == null || prevAtom == null)
{
{
int length = sq.getLength();
boolean ssFound = false;
- Annotation asecstr[] = new Annotation[length + firstResNum - 1];
+ Annotation asecstr[] = new Annotation[length
+ + (firstResNum - sq.getStart())];
for (int p = 0; p < length; p++)
{
if (secstr[p] >= 'A' && secstr[p] <= 'z')