2 * Jalview - A Sequence Alignment Editor and Viewer
3 * Copyright (C) 2007 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
5 * This program is free software; you can redistribute it and/or
6 * modify it under the terms of the GNU General Public License
7 * as published by the Free Software Foundation; either version 2
8 * of the License, or (at your option) any later version.
10 * This program is distributed in the hope that it will be useful,
11 * but WITHOUT ANY WARRANTY; without even the implied warranty of
12 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 * GNU General Public License for more details.
15 * You should have received a copy of the GNU General Public License
16 * along with this program; if not, write to the Free Software
17 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
20 package jalview.appletgui;
24 import java.awt.event.*;
26 import jalview.datamodel.*;
27 import jalview.structure.*;
30 import org.jmol.api.*;
31 import org.jmol.adapter.smarter.SmarterJmolAdapter;
33 import org.jmol.popup.*;
34 import jalview.schemes.*;
37 public class AppletJmol extends Frame
38 implements StructureListener, JmolStatusListener,
39 KeyListener, ActionListener, ItemListener
42 Menu fileMenu = new Menu("File");
43 Menu viewMenu = new Menu("View");
44 Menu coloursMenu = new Menu("Colours");
45 Menu chainMenu = new Menu("Show Chain");
46 Menu helpMenu = new Menu("Help");
47 MenuItem mappingMenuItem = new MenuItem("View Mapping");
49 CheckboxMenuItem seqColour = new CheckboxMenuItem("By Sequence", true);
50 MenuItem chain = new MenuItem("By Chain");
51 MenuItem charge = new MenuItem("Charge & Cysteine");
52 MenuItem zappo = new MenuItem("Zappo");
53 MenuItem taylor = new MenuItem("Taylor");
54 MenuItem hydro = new MenuItem("Hydrophobicity");
55 MenuItem helix = new MenuItem("Helix Propensity");
56 MenuItem strand = new MenuItem("Strand Propensity");
57 MenuItem turn = new MenuItem("Turn Propensity");
58 MenuItem buried = new MenuItem("Buried Index");
59 MenuItem user = new MenuItem("User Defined Colours");
61 MenuItem jmolHelp = new MenuItem("Jmol Help");
71 StructureSelectionManager ssm;
72 RenderPanel renderPanel;
74 String fileLoadingError;
77 boolean colourBySequence = true;
78 Vector atomsPicked = new Vector();
80 public AppletJmol(PDBEntry pdbentry,
89 this.pdbentry = pdbentry;
91 String alreadyMapped = StructureSelectionManager
92 .getStructureSelectionManager()
93 .alreadyMappedToFile(pdbentry.getId());
95 if (alreadyMapped != null)
97 StructureSelectionManager.getStructureSelectionManager()
98 .setMapping(seq, chains, pdbentry.getFile(), protocol);
99 //PROMPT USER HERE TO ADD TO NEW OR EXISTING VIEW?
100 //FOR NOW, LETS JUST OPEN A NEW WINDOW
103 renderPanel = new RenderPanel();
105 this.add(renderPanel, BorderLayout.CENTER);
106 viewer = JmolViewer.allocateViewer(renderPanel, new SmarterJmolAdapter());
108 viewer.setAppletContext("jalview",
109 ap.av.applet.getDocumentBase(),
110 ap.av.applet.getCodeBase(),
113 viewer.setJmolStatusListener(this);
115 jmolpopup = JmolPopup.newJmolPopup(viewer);
117 this.addWindowListener(new WindowAdapter()
119 public void windowClosing(WindowEvent evt)
125 MenuBar menuBar = new MenuBar();
126 menuBar.add(fileMenu);
127 fileMenu.add(mappingMenuItem);
128 menuBar.add(viewMenu);
129 mappingMenuItem.addActionListener(this);
130 viewMenu.add(chainMenu);
131 menuBar.add(coloursMenu);
132 menuBar.add(helpMenu);
134 charge.addActionListener(this);
135 hydro.addActionListener(this);
136 chain.addActionListener(this);
137 seqColour.addItemListener(this);
138 zappo.addActionListener(this);
139 taylor.addActionListener(this);
140 helix.addActionListener(this);
141 strand.addActionListener(this);
142 turn.addActionListener(this);
143 buried.addActionListener(this);
144 user.addActionListener(this);
146 jmolHelp.addActionListener(this);
148 coloursMenu.add(seqColour);
149 coloursMenu.add(chain);
150 coloursMenu.add(charge);
151 coloursMenu.add(zappo);
152 coloursMenu.add(taylor);
153 coloursMenu.add(hydro);
154 coloursMenu.add(helix);
155 coloursMenu.add(strand);
156 coloursMenu.add(turn);
157 coloursMenu.add(buried);
158 coloursMenu.add(user);
160 helpMenu.add(jmolHelp);
162 this.setMenuBar(menuBar);
164 if(pdbentry.getFile()!=null)
166 if (protocol.equals(AppletFormatAdapter.PASTE))
167 loadInline(pdbentry.getFile());
169 viewer.openFile(pdbentry.getFile());
172 jalview.bin.JalviewLite.addFrame(this, "Jmol", 400,400);
175 public void loadInline(String string)
178 viewer.openStringInline(string);
182 void setChainMenuItems(Vector chains)
184 chainMenu.removeAll();
186 MenuItem menuItem = new MenuItem("All");
187 menuItem.addActionListener(this);
189 chainMenu.add(menuItem);
191 CheckboxMenuItem menuItemCB;
192 for (int c = 0; c < chains.size(); c++)
194 menuItemCB = new CheckboxMenuItem(chains.elementAt(c).toString(), true);
195 menuItemCB.addItemListener(this);
196 chainMenu.add(menuItemCB);
200 boolean allChainsSelected = false;
203 StringBuffer cmd = new StringBuffer();
204 for (int i = 0; i < chainMenu.getItemCount(); i++)
206 if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
208 CheckboxMenuItem item = (CheckboxMenuItem) chainMenu.getItem(i);
210 cmd.append(":" + item.getLabel() + " or ");
214 if (cmd.length() > 0)
215 cmd.setLength(cmd.length() - 4);
217 viewer.evalString("select *;restrict "
218 + cmd + ";cartoon;center " + cmd);
224 viewer.setModeMouse(org.jmol.viewer.JmolConstants.MOUSE_NONE);
225 viewer.evalStringQuiet("zap");
226 viewer.setJmolStatusListener(null);
229 //We'll need to find out what other
230 // listeners need to be shut down in Jmol
231 StructureSelectionManager
232 .getStructureSelectionManager()
233 .removeStructureViewerListener(this, pdbentry.getId());
235 this.setVisible(false);
238 public void actionPerformed(ActionEvent evt)
240 if(evt.getSource()==mappingMenuItem)
242 jalview.appletgui.CutAndPasteTransfer cap
243 = new jalview.appletgui.CutAndPasteTransfer(false, null);
244 Frame frame = new Frame();
247 jalview.bin.JalviewLite.addFrame(frame, "PDB - Sequence Mapping", 550,
250 StructureSelectionManager.getStructureSelectionManager().printMapping(
254 else if (evt.getSource() == charge)
256 colourBySequence = false;
257 seqColour.setState(false);
258 viewer.evalStringQuiet("select *;color white;select ASP,GLU;color red;"
259 +"select LYS,ARG;color blue;select CYS;color yellow");
262 else if (evt.getSource() == chain)
264 colourBySequence = false;
265 seqColour.setState(false);
266 viewer.evalStringQuiet("select *;color chain");
268 else if (evt.getSource() == zappo)
270 setJalviewColourScheme(new ZappoColourScheme());
272 else if (evt.getSource() == taylor)
274 setJalviewColourScheme(new TaylorColourScheme());
276 else if (evt.getSource() == hydro)
278 setJalviewColourScheme(new HydrophobicColourScheme());
280 else if (evt.getSource() == helix)
282 setJalviewColourScheme(new HelixColourScheme());
284 else if (evt.getSource() == strand)
286 setJalviewColourScheme(new StrandColourScheme());
288 else if (evt.getSource() == turn)
290 setJalviewColourScheme(new TurnColourScheme());
292 else if (evt.getSource() == buried)
294 setJalviewColourScheme(new BuriedColourScheme());
296 else if (evt.getSource() == user)
298 new UserDefinedColours(this);
300 else if(evt.getSource() == jmolHelp)
303 ap.av.applet.getAppletContext().showDocument(
304 new java.net.URL("http://jmol.sourceforge.net/docs/JmolUserGuide/"),
306 }catch(java.net.MalformedURLException ex){}
310 allChainsSelected = true;
311 for (int i = 0; i < chainMenu.getItemCount(); i++)
313 if (chainMenu.getItem(i) instanceof CheckboxMenuItem)
314 ( (CheckboxMenuItem) chainMenu.getItem(i)).setState(true);
317 allChainsSelected = false;
321 public void setJalviewColourScheme(ColourSchemeI cs)
323 colourBySequence = false;
324 seqColour.setState(false);
333 Enumeration en = ResidueProperties.aa3Hash.keys();
334 StringBuffer command = new StringBuffer("select *;color white;");
335 while(en.hasMoreElements())
337 res = en.nextElement().toString();
338 index = ((Integer) ResidueProperties.aa3Hash.get(res)).intValue();
342 col = cs.findColour(ResidueProperties.aa[index].charAt(0));
344 command.append("select "+res+";color["
346 + col.getGreen() + ","
347 + col.getBlue() + "];");
350 viewer.evalStringQuiet(command.toString());
353 public void itemStateChanged(ItemEvent evt)
355 if (evt.getSource() == seqColour)
358 colourBySequence = seqColour.getState();
359 colourBySequence(ap);
361 else if (!allChainsSelected)
365 public void keyPressed(KeyEvent evt)
367 if (evt.getKeyCode() == KeyEvent.VK_ENTER
368 && scriptWindow.isVisible())
370 viewer.evalString(inputLine.getText());
371 history.append("\n$ "+inputLine.getText());
372 inputLine.setText("");
377 public void keyTyped(KeyEvent evt)
380 public void keyReleased(KeyEvent evt){}
382 //////////////////////////////////
384 public String getPdbFile()
392 public void mouseOverStructure(int atomIndex, String strInfo)
396 int chainSeparator = strInfo.indexOf(":");
398 if(chainSeparator==-1)
399 chainSeparator = strInfo.indexOf(".");
401 pdbResNum = Integer.parseInt(
402 strInfo.substring(strInfo.indexOf("]")+ 1, chainSeparator));
406 if (strInfo.indexOf(":") > -1)
407 chainId = strInfo.substring
408 (strInfo.indexOf(":")+1, strInfo.indexOf("."));
414 if (lastMessage == null || !lastMessage.equals(strInfo))
415 ssm.mouseOverStructure(pdbResNum, chainId, pdbentry.getFile());
417 lastMessage = strInfo;
420 StringBuffer resetLastRes = new StringBuffer();
421 StringBuffer eval = new StringBuffer();
423 public void highlightAtom(int atomIndex, int pdbResNum, String chain, String pdbfile)
425 if (!pdbfile.equals(pdbentry.getFile()))
428 if (resetLastRes.length() > 0)
430 viewer.evalStringQuiet(resetLastRes.toString());
434 eval.append("select " + pdbResNum);
436 resetLastRes.setLength(0);
437 resetLastRes.append("select " + pdbResNum);
439 if (!chain.equals(" "))
441 eval.append(":" + chain);
442 resetLastRes.append(":" + chain);
445 eval.append(";wireframe 100;"+eval.toString()+".CA;");
447 resetLastRes.append(";wireframe 0;"+resetLastRes.toString()+".CA;spacefill 0;");
449 eval.append("spacefill 200;select none");
451 viewer.evalStringQuiet(eval.toString());
455 public void updateColours(Object source)
457 colourBySequence( (AlignmentPanel) source);
460 //End StructureListener
461 ////////////////////////////
463 public Color getColour(int atomIndex, int pdbResNum, String chain, String pdbfile)
465 if (!pdbfile.equals(pdbentry.getFile()))
468 return new Color(viewer.getAtomArgb(atomIndex));
472 FeatureRenderer fr=null;
473 public void colourBySequence(AlignmentPanel sourceap)
477 if (!colourBySequence)
480 StructureMapping[] mapping = ssm.getMapping(pdbentry.getFile());
482 if (mapping.length < 1)
485 SequenceRenderer sr = new SequenceRenderer(ap.av);
487 boolean showFeatures = false;
489 if (ap.av.showSequenceFeatures)
494 fr = new jalview.appletgui.FeatureRenderer(ap.av);
497 fr.transferSettings(ap.seqPanel.seqCanvas.getFeatureRenderer());
500 StringBuffer command = new StringBuffer();
503 for (int s = 0; s < sequence.length; s++)
505 for (int m = 0; m < mapping.length; m++)
507 if (mapping[m].getSequence() == sequence[s]
508 && ap.av.alignment.findIndex(sequence[s]) > -1)
510 for (int r = 0; r < sequence[s].getLength(); r++)
512 int pos = mapping[m].getPDBResNum(
513 sequence[s].findPosition(r));
515 if (pos < 1 || pos == lastPos)
520 Color col = sr.getResidueBoxColour(sequence[s], r);
523 col = fr.findFeatureColour(col, sequence[s], r);
525 if (command.toString().endsWith(":" + mapping[m].getChain() +
528 + col.getGreen() + ","
529 + col.getBlue() + "]"))
531 command = condenseCommand(command.toString(), pos);
535 command.append(";select " + pos);
537 if (!mapping[m].getChain().equals(" "))
539 command.append(":" + mapping[m].getChain());
542 command.append(";color["
544 + col.getGreen() + ","
545 + col.getBlue() + "]");
552 if (lastCommand == null || !lastCommand.equals(command.toString()))
554 viewer.evalStringQuiet(command.toString());
556 lastCommand = command.toString();
560 StringBuffer condenseCommand(String command, int pos)
563 StringBuffer sb = new StringBuffer(command.substring(0, command.lastIndexOf("select")+7));
565 command = command.substring(sb.length());
569 if (command.indexOf("-") > -1)
571 start = command.substring(0,command.indexOf("-"));
575 start = command.substring(0, command.indexOf(":"));
578 sb.append(start+"-"+pos+command.substring(command.indexOf(":")));
583 /////////////////////////////////
586 public String eval(String strEval)
588 // System.out.println(strEval);
589 //"# 'eval' is implemented only for the applet.";
593 public void createImage(String file, String type, int quality)
596 public void setCallbackFunction(String callbackType,
597 String callbackFunction)
600 public void notifyFileLoaded(String fullPathName, String fileName,
601 String modelName, Object clientFile,
606 fileLoadingError = errorMsg;
611 fileLoadingError = null;
613 if (fileName != null)
616 jmolpopup.updateComputedMenus();
617 viewer.evalStringQuiet(
618 "select backbone;restrict;cartoon;wireframe off;spacefill off");
620 ssm = StructureSelectionManager.getStructureSelectionManager();
625 pdb = ssm.setMapping(sequence,chains,
627 AppletFormatAdapter.PASTE);
628 pdbentry.setFile("INLINE"+pdb.id);
632 pdb = ssm.setMapping(sequence,chains,
634 AppletFormatAdapter.URL);
637 pdbentry.setId(pdb.id);
639 ssm.addStructureViewerListener(this);
641 Vector chains = new Vector();
642 for (int i = 0; i < pdb.chains.size(); i++)
644 chains.addElement( ( (MCview.PDBChain) pdb.chains.elementAt(i)).id);
646 setChainMenuItems(chains);
648 colourBySequence(ap);
650 StringBuffer title = new StringBuffer(sequence[0].getName() + ":" +
653 if (pdbentry.getProperty() != null)
655 if (pdbentry.getProperty().get("method") != null)
657 title.append(" Method: ");
658 title.append(pdbentry.getProperty().get("method"));
660 if (pdbentry.getProperty().get("chains") != null)
662 title.append(" Chain:");
663 title.append(pdbentry.getProperty().get("chains"));
667 this.setTitle(title.toString());
674 public void notifyFrameChanged(int frameNo)
676 boolean isAnimationRunning = (frameNo <= -2);
679 public void notifyScriptStart(String statusMessage, String additionalInfo)
682 public void sendConsoleEcho(String strEcho)
684 if (scriptWindow == null)
687 history.append("\n"+strEcho);
690 public void sendConsoleMessage(String strStatus)
692 if(history!=null && strStatus!=null
693 && !strStatus.equals("Script completed"))
695 history.append("\n"+strStatus);
699 public void notifyScriptTermination(String strStatus, int msWalltime)
702 public void handlePopupMenu(int x, int y)
704 jmolpopup.show(x, y);
707 public void notifyNewPickingModeMeasurement(int iatom, String strMeasure)
709 notifyAtomPicked(iatom, strMeasure);
712 public void notifyNewDefaultModeMeasurement(int count, String strInfo)
715 public void notifyAtomPicked(int atomIndex, String strInfo)
718 int chainSeparator = strInfo.indexOf(":");
720 if(chainSeparator==-1)
721 chainSeparator = strInfo.indexOf(".");
724 strInfo.substring(strInfo.indexOf("]")+ 1, chainSeparator);
727 if (strInfo.indexOf(":") > -1)
728 picked+=strInfo.substring(strInfo.indexOf(":")+1,
729 strInfo.indexOf("."));
733 if (!atomsPicked.contains(picked))
735 viewer.evalString("select "+picked+";label %n %r:%c");
736 atomsPicked.addElement(picked);
740 viewer.evalString("select "+picked+";label off");
741 atomsPicked.removeElement(picked);
745 public void notifyAtomHovered(int atomIndex, String strInfo)
747 mouseOverStructure(atomIndex, strInfo);
750 public void sendSyncScript(String script, String appletName)
753 public void showUrl(String url)
756 ap.av.applet.getAppletContext().showDocument(new java.net.URL(url),
758 }catch(java.net.MalformedURLException ex)
762 public void showConsole(boolean showConsole)
764 if (scriptWindow == null)
766 scriptWindow = new Panel(new BorderLayout());
767 inputLine = new TextField();
768 history = new TextArea(5, 40);
769 scriptWindow.add(history, BorderLayout.CENTER);
770 scriptWindow.add(inputLine, BorderLayout.SOUTH);
771 add(scriptWindow, BorderLayout.SOUTH);
772 scriptWindow.setVisible(false);
773 history.setEditable(false);
774 inputLine.addKeyListener(this);
777 scriptWindow.setVisible(!scriptWindow.isVisible());
781 public float functionXY(String functionName, int x, int y)
786 ///End JmolStatusListener
787 ///////////////////////////////
793 Dimension currentSize = new Dimension();
794 Rectangle rectClip = new Rectangle();
796 public void update(Graphics g) {
799 public void paint(Graphics g)
801 currentSize = this.getSize();
802 rectClip = g.getClipBounds();
806 g.setColor(Color.black);
807 g.fillRect(0, 0, currentSize.width, currentSize.height);
808 g.setColor(Color.white);
809 g.setFont(new Font("Verdana", Font.BOLD, 14));
810 g.drawString("Retrieving PDB data....", 20, currentSize.height / 2);
814 viewer.renderScreenImage(g, currentSize, rectClip);