TextField inputLine;
TextArea history;
SequenceI[] sequence;
+ String [] chains;
StructureSelectionManager ssm;
RenderPanel renderPanel;
AlignmentPanel ap;
public AppletJmol(PDBEntry pdbentry,
SequenceI[] seq,
+ String[] chains,
AlignmentPanel ap,
String protocol)
{
this.ap = ap;
this.sequence = seq;
+ this.chains = chains;
this.pdbentry = pdbentry;
String alreadyMapped = StructureSelectionManager
if (alreadyMapped != null)
{
StructureSelectionManager.getStructureSelectionManager()
- .setMapping(seq, pdbentry.getFile(), protocol);
- return;
+ .setMapping(seq, chains, pdbentry.getFile(), protocol);
+ //PROMPT USER HERE TO ADD TO NEW OR EXISTING VIEW?
+ //FOR NOW, LETS JUST OPEN A NEW WINDOW
}
renderPanel = new RenderPanel();
viewer.openFile(pdbentry.getFile());
}
- this.setBounds(400, 400, 400, 400);
-
- this.setVisible(true);
+ jalview.bin.JalviewLite.addFrame(this, "Jmol", 400,400);
}
public void loadInline(String string)
{
if (evt.getSource() == seqColour)
{
+ lastCommand = null;
colourBySequence = seqColour.getState();
colourBySequence(ap);
}
resetLastRes.append(":" + chain);
}
- eval.append(";color gold;wireframe 100");
+ eval.append(";wireframe 100;"+eval.toString()+".CA;");
- Color col = new Color(viewer.getAtomArgb(atomIndex));
+ resetLastRes.append(";wireframe 0;"+resetLastRes.toString()+".CA;spacefill 0;");
- resetLastRes.append(";color["
- + col.getRed() + ","
- + col.getGreen() + ","
- + col.getBlue() + "];wireframe 0");
+ eval.append("spacefill 200;select none");
viewer.evalStringQuiet(eval.toString());
//End StructureListener
////////////////////////////
- FeatureRenderer fr;
- public void colourBySequence(AlignmentPanel ap)
+ public Color getColour(int atomIndex, int pdbResNum, String chain, String pdbfile)
{
- if(!colourBySequence)
- return;
+ if (!pdbfile.equals(pdbentry.getFile()))
+ return null;
+
+ return new Color(viewer.getAtomArgb(atomIndex));
+ }
+
+ String lastCommand;
+ FeatureRenderer fr=null;
+ public void colourBySequence(AlignmentPanel sourceap)
+ {
+ this.ap = sourceap;
+ if (!colourBySequence)
+ return;
StructureMapping[] mapping = ssm.getMapping(pdbentry.getFile());
if (mapping.length < 1)
return;
- SequenceRenderer sr = ap.seqPanel.seqCanvas.getSequenceRenderer();
+ SequenceRenderer sr = new SequenceRenderer(ap.av);
boolean showFeatures = false;
+
if (ap.av.showSequenceFeatures)
{
showFeatures = true;
{
for (int m = 0; m < mapping.length; m++)
{
- if (mapping[m].getSequence() == sequence[s])
+ if (mapping[m].getSequence() == sequence[s]
+ && ap.av.alignment.findIndex(sequence[s]) > -1)
{
for (int r = 0; r < sequence[s].getLength(); r++)
{
int pos = mapping[m].getPDBResNum(
sequence[s].findPosition(r));
- if (pos < 1 || pos==lastPos)
+ if (pos < 1 || pos == lastPos)
continue;
lastPos = pos;
if (showFeatures)
col = fr.findFeatureColour(col, sequence[s], r);
- if (command.toString().endsWith(":" + mapping[m].getChain()+
+ if (command.toString().endsWith(":" + mapping[m].getChain() +
";color["
+ col.getRed() + ","
+ col.getGreen() + ","
}
command.append(";color["
- + col.getRed() + ","
- + col.getGreen() + ","
- + col.getBlue() + "]");
-
+ + col.getRed() + ","
+ + col.getGreen() + ","
+ + col.getBlue() + "]");
}
break;
}
}
}
- viewer.evalStringQuiet(command.toString());
+ if (lastCommand == null || !lastCommand.equals(command.toString()))
+ {
+ viewer.evalStringQuiet(command.toString());
+ }
+ lastCommand = command.toString();
}
+
StringBuffer condenseCommand(String command, int pos)
{
MCview.PDBfile pdb;
if (loadedInline)
{
- pdb = ssm.setMapping(sequence,
+ pdb = ssm.setMapping(sequence,chains,
pdbentry.getFile(),
AppletFormatAdapter.PASTE);
pdbentry.setFile("INLINE"+pdb.id);
}
else
{
- pdb = ssm.setMapping(sequence,
+ pdb = ssm.setMapping(sequence,chains,
pdbentry.getFile(),
AppletFormatAdapter.URL);
}
picked+=strInfo.substring(strInfo.indexOf(":")+1,
strInfo.indexOf("."));
- picked+=".C";
+ picked+=".CA";
if (!atomsPicked.contains(picked))
{