src/jalview/gui/AppJmol.java

   1 /*
   2  * Jalview - A Sequence Alignment Editor and Viewer
   3  * Copyright (C) 2007 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
   4  *
   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.
   9  *
  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.
  14  *
  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
  18  */
  19 package jalview.gui;
  20
  21 import java.util.regex.*;
  22 import java.util.*;
  23 import java.awt.*;
  24 import javax.swing.*;
  25 import javax.swing.event.*;
  26 import java.awt.event.*;
  27 import java.io.*;
  28
  29 import jalview.jbgui.GStructureViewer;
  30 import jalview.datamodel.*;
  31 import jalview.gui.*;
  32 import jalview.structure.*;
  33 import jalview.datamodel.PDBEntry;
  34 import jalview.io.*;
  35 import jalview.schemes.*;
  36
  37 import org.jmol.api.*;
  38 import org.jmol.adapter.smarter.SmarterJmolAdapter;
  39 import org.jmol.popup.*;
  40
  41
  42 public class AppJmol
  43     extends GStructureViewer
  44     implements StructureListener, JmolStatusListener, Runnable
  45
  46 {
  47   JmolViewer viewer;
  48   JmolPopup jmolpopup;
  49   ScriptWindow scriptWindow;
  50   PDBEntry pdbentry;
  51   SequenceI[] sequence;
  52   String [] chains;
  53   StructureSelectionManager ssm;
  54   JSplitPane splitPane;
  55   RenderPanel renderPanel;
  56   AlignmentPanel ap;
  57   String fileLoadingError;
  58   boolean colourBySequence = true;
  59   boolean loadingFromArchive = false;
  60   Vector atomsPicked = new Vector();
  61
  62   public AppJmol(String file, String id,
  63                  SequenceI[] seq,
  64                  AlignmentPanel ap,
  65                  String loadStatus,
  66                  Rectangle bounds)
  67   {
  68     loadingFromArchive = true;
  69     pdbentry = new PDBEntry();
  70     pdbentry.setFile(file);
  71     pdbentry.setId(id);
  72     this.chains = chains;
  73     this.sequence = seq;
  74     this.ap = ap;
  75     this.setBounds(bounds);
  76
  77     colourBySequence = false;
  78     seqColour.setSelected(false);
  79
  80     jalview.gui.Desktop.addInternalFrame(this, "Loading File",
  81                                          bounds.width,bounds.height);
  82
  83     initJmol(loadStatus);
  84
  85     this.addInternalFrameListener(new InternalFrameAdapter()
  86     {
  87       public void internalFrameClosing(InternalFrameEvent internalFrameEvent)
  88       {
  89         closeViewer();
  90       }
  91     });
  92   }
  93
  94 public synchronized void addSequence(SequenceI [] seq)
  95    {
  96     Vector v = new Vector();
  97      for(int i=0; i<sequence.length; i++)
  98        v.addElement(sequence[i]);
  99
 100      for(int i=0; i<seq.length; i++)
 101       if(!v.contains(seq[i]))
 102           v.addElement(seq[i]);
 103
 104      SequenceI [] tmp = new SequenceI[v.size()];
 105      v.copyInto(tmp);
 106      sequence = tmp;
 107    }
 108
 109   public AppJmol(PDBEntry pdbentry, SequenceI[] seq, String [] chains, AlignmentPanel ap)
 110   {
 111     //////////////////////////////////
 112     //Is the pdb file already loaded?
 113     String alreadyMapped = StructureSelectionManager
 114         .getStructureSelectionManager()
 115         .alreadyMappedToFile(pdbentry.getId());
 116
 117     if (alreadyMapped != null)
 118     {
 119       int option = JOptionPane.showInternalConfirmDialog(Desktop.desktop,
 120           pdbentry.getId() + " is already displayed."
 121           + "\nDo you want to map sequences to the visible structure?",
 122           "Map Sequences to Visible Window: " + pdbentry.getId(),
 123           JOptionPane.YES_NO_OPTION);
 124
 125       if (option == JOptionPane.YES_OPTION)
 126       {
 127         StructureSelectionManager.getStructureSelectionManager()
 128             .setMapping(seq, chains, alreadyMapped, AppletFormatAdapter.FILE);
 129         if (ap.seqPanel.seqCanvas.fr!=null) {
 130           ap.seqPanel.seqCanvas.fr.featuresAdded();
 131           ap.paintAlignment(true);
 132         }
 133
 134         //Now this AppJmol is mapped to new sequences. We must add them to
 135         // the exisiting array
 136         JInternalFrame [] frames = Desktop.instance.getAllFrames();
 137
 138         for(int i=0; i<frames.length; i++)
 139         {
 140           if(frames[i] instanceof AppJmol)
 141           {
 142            AppJmol topJmol = ((AppJmol)frames[i]);
 143            if(topJmol.pdbentry.getFile().equals(alreadyMapped))
 144            {
 145              topJmol.addSequence(seq);
 146              break;
 147            }
 148           }
 149         }
 150
 151         return;
 152       }
 153     }
 154     ///////////////////////////////////
 155
 156     this.ap = ap;
 157     this.pdbentry = pdbentry;
 158     this.sequence = seq;
 159
 160     jalview.gui.Desktop.addInternalFrame(this, "Loading File", 400, 400);
 161
 162     if (pdbentry.getFile() != null)
 163     {
 164       initJmol("load \""+pdbentry.getFile()+"\"");
 165     }
 166     else
 167     {
 168       Thread worker = new Thread(this);
 169       worker.start();
 170     }
 171
 172     this.addInternalFrameListener(new InternalFrameAdapter()
 173     {
 174       public void internalFrameClosing(InternalFrameEvent internalFrameEvent)
 175       {
 176         closeViewer();
 177       }
 178     });
 179   }
 180
 181
 182   void initJmol(String command)
 183   {
 184     renderPanel = new RenderPanel();
 185
 186     this.getContentPane().add(renderPanel, java.awt.BorderLayout.CENTER);
 187
 188     StringBuffer title = new StringBuffer(sequence[0].getName() + ":" +
 189                                           pdbentry.getId());
 190
 191     if (pdbentry.getProperty() != null)
 192     {
 193       if (pdbentry.getProperty().get("method") != null)
 194       {
 195         title.append(" Method: ");
 196         title.append(pdbentry.getProperty().get("method"));
 197       }
 198       if (pdbentry.getProperty().get("chains") != null)
 199       {
 200         title.append(" Chain:");
 201         title.append(pdbentry.getProperty().get("chains"));
 202       }
 203     }
 204
 205     this.setTitle(title.toString());
 206
 207     viewer = org.jmol.api.JmolViewer.allocateViewer(renderPanel,
 208         new SmarterJmolAdapter());
 209
 210
 211     viewer.setAppletContext("", null, null, "");
 212
 213     viewer.setJmolStatusListener(this);
 214
 215     jmolpopup = JmolPopup.newJmolPopup(viewer);
 216
 217     viewer.evalStringQuiet(command);
 218   }
 219
 220
 221   void setChainMenuItems(Vector chains)
 222   {
 223     chainMenu.removeAll();
 224
 225     JMenuItem menuItem = new JMenuItem("All");
 226     menuItem.addActionListener(new ActionListener()
 227         {
 228           public void actionPerformed(ActionEvent evt)
 229           {
 230             allChainsSelected = true;
 231             for(int i=0; i<chainMenu.getItemCount(); i++)
 232             {
 233               if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem)
 234                 ( (JCheckBoxMenuItem) chainMenu.getItem(i)).setSelected(true);
 235             }
 236             centerViewer();
 237             allChainsSelected = false;
 238           }
 239         });
 240
 241     chainMenu.add(menuItem);
 242
 243     for (int c = 0; c < chains.size(); c++)
 244     {
 245       menuItem = new JCheckBoxMenuItem(chains.elementAt(c).toString(), true);
 246       menuItem.addItemListener(new ItemListener()
 247       {
 248         public void itemStateChanged(ItemEvent evt)
 249         {
 250           if (!allChainsSelected)
 251             centerViewer();
 252         }
 253       });
 254
 255       chainMenu.add(menuItem);
 256     }
 257   }
 258
 259   boolean allChainsSelected = false;
 260   void centerViewer()
 261   {
 262     StringBuffer cmd = new StringBuffer();
 263     for(int i=0; i<chainMenu.getItemCount(); i++)
 264     {
 265       if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem)
 266       {
 267        JCheckBoxMenuItem item = (JCheckBoxMenuItem) chainMenu.getItem(i);
 268        if(item.isSelected())
 269          cmd.append(":"+item.getText()+" or ");
 270       }
 271     }
 272
 273     if (cmd.length() > 0)
 274       cmd.setLength(cmd.length() - 4);
 275
 276     viewer.evalStringQuiet("select *;restrict "
 277                       +cmd+";cartoon;center "+cmd);
 278   }
 279
 280   void closeViewer()
 281   {
 282     viewer.setModeMouse(org.jmol.viewer.JmolConstants.MOUSE_NONE);
 283     viewer.evalStringQuiet("zap");
 284     viewer.setJmolStatusListener(null);
 285     viewer = null;
 286
 287     //We'll need to find out what other
 288     // listeners need to be shut down in Jmol
 289     StructureSelectionManager
 290         .getStructureSelectionManager()
 291         .removeStructureViewerListener(this, pdbentry.getFile());
 292   }
 293
 294   public void run()
 295   {
 296     try
 297     {
 298       EBIFetchClient ebi = new EBIFetchClient();
 299       String query = "pdb:" + pdbentry.getId();
 300       pdbentry.setFile(ebi.fetchDataAsFile(query, "default", "raw")
 301                        .getAbsolutePath());
 302       initJmol("load "+pdbentry.getFile());
 303     }
 304     catch (Exception ex)
 305     {
 306       ex.printStackTrace();
 307     }
 308   }
 309
 310   public void pdbFile_actionPerformed(ActionEvent actionEvent)
 311   {
 312     JalviewFileChooser chooser = new JalviewFileChooser(
 313         jalview.bin.Cache.getProperty(
 314             "LAST_DIRECTORY"));
 315
 316     chooser.setFileView(new JalviewFileView());
 317     chooser.setDialogTitle("Save PDB File");
 318     chooser.setToolTipText("Save");
 319
 320     int value = chooser.showSaveDialog(this);
 321
 322     if (value == JalviewFileChooser.APPROVE_OPTION)
 323     {
 324       try
 325       {
 326         BufferedReader in = new BufferedReader(new FileReader(pdbentry.getFile()));
 327         File outFile = chooser.getSelectedFile();
 328
 329         PrintWriter out = new PrintWriter(new FileOutputStream(outFile));
 330         String data;
 331         while ( (data = in.readLine()) != null)
 332         {
 333           if (
 334               ! (data.indexOf("<PRE>") > -1 || data.indexOf("</PRE>") > -1)
 335               )
 336           {
 337             out.println(data);
 338           }
 339         }
 340         out.close();
 341       }
 342       catch (Exception ex)
 343       {
 344         ex.printStackTrace();
 345       }
 346     }
 347   }
 348
 349   public void viewMapping_actionPerformed(ActionEvent actionEvent)
 350   {
 351     jalview.gui.CutAndPasteTransfer cap = new jalview.gui.CutAndPasteTransfer();
 352     jalview.gui.Desktop.addInternalFrame(cap, "PDB - Sequence Mapping", 550,
 353                                          600);
 354     cap.setText(
 355         StructureSelectionManager.getStructureSelectionManager().printMapping(
 356             pdbentry.getFile())
 357         );
 358   }
 359
 360   /**
 361    * DOCUMENT ME!
 362    *
 363    * @param e DOCUMENT ME!
 364    */
 365   public void eps_actionPerformed(ActionEvent e)
 366   {
 367     makePDBImage(jalview.util.ImageMaker.EPS);
 368   }
 369
 370   /**
 371    * DOCUMENT ME!
 372    *
 373    * @param e DOCUMENT ME!
 374    */
 375   public void png_actionPerformed(ActionEvent e)
 376   {
 377     makePDBImage(jalview.util.ImageMaker.PNG);
 378   }
 379
 380   void makePDBImage(int type)
 381   {
 382     int width = getWidth();
 383     int height = getHeight();
 384
 385     jalview.util.ImageMaker im;
 386
 387     if (type == jalview.util.ImageMaker.PNG)
 388     {
 389       im = new jalview.util.ImageMaker(this,
 390                                        jalview.util.ImageMaker.PNG,
 391                                        "Make PNG image from view",
 392                                        width, height,
 393                                        null, null);
 394     }
 395     else
 396     {
 397       im = new jalview.util.ImageMaker(this,
 398                                        jalview.util.ImageMaker.EPS,
 399                                        "Make EPS file from view",
 400                                        width, height,
 401                                        null, this.getTitle());
 402     }
 403
 404     if (im.getGraphics() != null)
 405     {
 406       Rectangle rect = new Rectangle(width, height);
 407       viewer.renderScreenImage(im.getGraphics(),
 408                                rect.getSize(), rect);
 409       im.writeImage();
 410     }
 411   }
 412
 413
 414   public void seqColour_actionPerformed(ActionEvent actionEvent)
 415   {
 416     colourBySequence = seqColour.isSelected();
 417     colourBySequence(ap.alignFrame.alignPanel);
 418   }
 419
 420   public void chainColour_actionPerformed(ActionEvent actionEvent)
 421   {
 422     colourBySequence = false;
 423     seqColour.setSelected(false);
 424     viewer.evalStringQuiet("select *;color chain");
 425   }
 426
 427   public void chargeColour_actionPerformed(ActionEvent actionEvent)
 428   {
 429     colourBySequence = false;
 430     seqColour.setSelected(false);
 431     viewer.evalStringQuiet("select *;color white;select ASP,GLU;color red;"
 432                       +"select LYS,ARG;color blue;select CYS;color yellow");
 433   }
 434
 435   public void zappoColour_actionPerformed(ActionEvent actionEvent)
 436   {
 437     setJalviewColourScheme(new ZappoColourScheme());
 438   }
 439
 440   public void taylorColour_actionPerformed(ActionEvent actionEvent)
 441   {
 442     setJalviewColourScheme(new TaylorColourScheme());
 443   }
 444
 445   public void hydroColour_actionPerformed(ActionEvent actionEvent)
 446   {
 447     setJalviewColourScheme(new HydrophobicColourScheme());
 448   }
 449
 450   public void helixColour_actionPerformed(ActionEvent actionEvent)
 451   {
 452     setJalviewColourScheme(new HelixColourScheme());
 453   }
 454
 455   public void strandColour_actionPerformed(ActionEvent actionEvent)
 456   {
 457     setJalviewColourScheme(new StrandColourScheme());
 458   }
 459
 460   public void turnColour_actionPerformed(ActionEvent actionEvent)
 461   {
 462     setJalviewColourScheme(new TurnColourScheme());
 463   }
 464
 465   public void buriedColour_actionPerformed(ActionEvent actionEvent)
 466   {
 467     setJalviewColourScheme(new BuriedColourScheme());
 468   }
 469
 470   public void setJalviewColourScheme(ColourSchemeI cs)
 471   {
 472     colourBySequence = false;
 473     seqColour.setSelected(false);
 474
 475     if(cs==null)
 476       return;
 477
 478     String res;
 479     int index;
 480     Color col;
 481
 482     Enumeration en = ResidueProperties.aa3Hash.keys();
 483     StringBuffer command = new StringBuffer("select *;color white;");
 484     while(en.hasMoreElements())
 485     {
 486       res = en.nextElement().toString();
 487       index = ((Integer) ResidueProperties.aa3Hash.get(res)).intValue();
 488       if(index>20)
 489         continue;
 490
 491       col = cs.findColour(ResidueProperties.aa[index].charAt(0));
 492
 493       command.append("select "+res+";color["
 494                         + col.getRed() + ","
 495                         + col.getGreen() + ","
 496                         + col.getBlue() + "];");
 497     }
 498
 499     viewer.evalStringQuiet(command.toString());
 500   }
 501
 502   public void userColour_actionPerformed(ActionEvent actionEvent)
 503   {
 504     new UserDefinedColours(this, null);
 505   }
 506
 507   public void backGround_actionPerformed(ActionEvent actionEvent)
 508   {
 509     java.awt.Color col = JColorChooser.showDialog(this,
 510                                                   "Select Background Colour",
 511                                                   null);
 512
 513     if (col != null)
 514     {
 515       viewer.evalStringQuiet("background ["
 516                         + col.getRed() + ","
 517                         + col.getGreen() + ","
 518                         + col.getBlue() + "];");
 519     }
 520   }
 521
 522
 523   public void jmolHelp_actionPerformed(ActionEvent actionEvent)
 524   {
 525        try{
 526          jalview.util.BrowserLauncher.openURL(
 527              "http://jmol.sourceforge.net/docs/JmolUserGuide/");
 528        }catch(Exception ex){}
 529    }
 530
 531
 532   //////////////////////////////////
 533   ///StructureListener
 534   public String getPdbFile()
 535   {
 536     return pdbentry.getFile();
 537   }
 538
 539   Pattern pattern = Pattern.compile(
 540       "\\[(.*)\\]([0-9]+)(:[a-zA-Z]*)?\\.([a-zA-Z]+)(/[0-9]*)?"
 541       );
 542
 543   String lastMessage;
 544   public void mouseOverStructure(int atomIndex, String strInfo)
 545   {
 546     Matcher matcher = pattern.matcher(strInfo);
 547     matcher.find();
 548     matcher.group(1);
 549     int pdbResNum = Integer.parseInt(matcher.group(2));
 550     String chainId = matcher.group(3);
 551
 552     if (chainId != null)
 553       chainId = chainId.substring(1, chainId.length());
 554     else
 555     {
 556       chainId = " ";
 557     }
 558
 559     if (lastMessage == null || !lastMessage.equals(strInfo))
 560     {
 561       ssm.mouseOverStructure(pdbResNum, chainId, pdbentry.getFile());
 562     }
 563     lastMessage = strInfo;
 564   }
 565
 566   StringBuffer resetLastRes = new StringBuffer();
 567   StringBuffer eval = new StringBuffer();
 568
 569   public void highlightAtom(int atomIndex, int pdbResNum, String chain, String pdbfile)
 570   {
 571     if (!pdbfile.equals(pdbentry.getFile()))
 572       return;
 573
 574     if (resetLastRes.length() > 0)
 575     {
 576       viewer.evalStringQuiet(resetLastRes.toString());
 577     }
 578
 579     eval.setLength(0);
 580     eval.append("select " + pdbResNum);
 581
 582     resetLastRes.setLength(0);
 583     resetLastRes.append("select " + pdbResNum);
 584
 585     if (!chain.equals(" "))
 586     {
 587       eval.append(":" + chain);
 588       resetLastRes.append(":" + chain);
 589     }
 590
 591     eval.append(";color gold;wireframe 100");
 592
 593     Color col = new Color(viewer.getAtomArgb(atomIndex));
 594
 595     resetLastRes.append(";color["
 596                         + col.getRed() + ","
 597                         + col.getGreen() + ","
 598                         + col.getBlue() + "];wireframe 0");
 599
 600     viewer.evalStringQuiet(eval.toString());
 601
 602   }
 603
 604   public Color getColour(int atomIndex, int pdbResNum, String chain, String pdbfile)
 605   {
 606     if (!pdbfile.equals(pdbentry.getFile()))
 607       return null;
 608
 609     return new Color(viewer.getAtomArgb(atomIndex));
 610   }
 611
 612   public void updateColours(Object source)
 613   {
 614     colourBySequence( (AlignmentPanel) source);
 615   }
 616
 617
 618 //End StructureListener
 619 ////////////////////////////
 620
 621   String lastCommand;
 622   FeatureRenderer fr=null;
 623   public void colourBySequence(AlignmentPanel sourceap)
 624   {
 625     this.ap = sourceap;
 626
 627     if(!colourBySequence || ap.alignFrame.getCurrentView()!=ap.av)
 628       return;
 629
 630     StructureMapping[] mapping = ssm.getMapping(pdbentry.getFile());
 631
 632     if (mapping.length < 1)
 633      return;
 634
 635
 636     SequenceRenderer sr = new SequenceRenderer(ap.av);
 637
 638     boolean showFeatures = false;
 639
 640     if (ap.av.showSequenceFeatures)
 641     {
 642       showFeatures = true;
 643       if (fr == null)
 644       {
 645         fr = new jalview.gui.FeatureRenderer(ap);
 646       }
 647
 648       fr.transferSettings(ap.seqPanel.seqCanvas.getFeatureRenderer());
 649     }
 650
 651     StringBuffer command = new StringBuffer();
 652
 653     int lastPos = -1;
 654     for (int s = 0; s < sequence.length; s++)
 655     {
 656       for (int m = 0; m < mapping.length; m++)
 657       {
 658         System.out.println(mapping[m].getSequence().getName()+" "+sequence[s].getName()+" "
 659         +((mapping[m].getSequence() == sequence[s])
 660           +" "+(ap.av.alignment.findIndex(sequence[s]))));
 661
 662                            if (mapping[m].getSequence() == sequence[s]
 663             && ap.av.alignment.findIndex(sequence[s])>-1)
 664         {
 665           for (int r = 0; r < sequence[s].getLength(); r++)
 666           {
 667             int pos = mapping[m].getPDBResNum(
 668                 sequence[s].findPosition(r));
 669
 670             if (pos < 1 || pos==lastPos)
 671               continue;
 672
 673             lastPos = pos;
 674
 675             Color col = sr.getResidueBoxColour(sequence[s], r);
 676
 677             if (showFeatures)
 678               col = fr.findFeatureColour(col, sequence[s], r);
 679
 680             if (command.toString().endsWith(":" + mapping[m].getChain()+
 681                                             ";color["
 682                                             + col.getRed() + ","
 683                                             + col.getGreen() + ","
 684                                             + col.getBlue() + "]"))
 685             {
 686               command = condenseCommand(command, pos);
 687               continue;
 688             }
 689
 690             command.append(";select " + pos);
 691
 692             if (!mapping[m].getChain().equals(" "))
 693             {
 694               command.append(":" + mapping[m].getChain());
 695             }
 696
 697             command.append(";color["
 698                              + col.getRed() + ","
 699                              + col.getGreen() + ","
 700                              + col.getBlue() + "]");
 701
 702           }
 703           break;
 704         }
 705       }
 706     }
 707
 708     if (lastCommand == null || !lastCommand.equals(command.toString()))
 709     {
 710       viewer.evalStringQuiet(command.toString());
 711     }
 712     lastCommand = command.toString();
 713   }
 714
 715   StringBuffer condenseCommand(StringBuffer command, int pos)
 716   {
 717     StringBuffer sb = new StringBuffer(command.substring(0, command.lastIndexOf("select")+7));
 718
 719     command.delete(0, sb.length());
 720
 721     String start;
 722
 723     if (command.indexOf("-") > -1)
 724     {
 725       start = command.substring(0,command.indexOf("-"));
 726     }
 727     else
 728     {
 729       start = command.substring(0, command.indexOf(":"));
 730     }
 731
 732     sb.append(start+"-"+pos+command.substring(command.indexOf(":")));
 733
 734     return sb;
 735   }
 736
 737   /////////////////////////////////
 738   //JmolStatusListener
 739
 740   public String eval(String strEval)
 741   {
 742    // System.out.println(strEval);
 743    //"# 'eval' is implemented only for the applet.";
 744     return null;
 745   }
 746
 747   public void createImage(String file, String type, int quality)
 748   {
 749     System.out.println("JMOL CREATE IMAGE");
 750   }
 751
 752   public void setCallbackFunction(String callbackType,
 753                                   String callbackFunction)
 754   {}
 755
 756   public void notifyFileLoaded(String fullPathName, String fileName,
 757                                String modelName, Object clientFile,
 758                                String errorMsg)
 759   {
 760     if(errorMsg!=null)
 761     {
 762       fileLoadingError = errorMsg;
 763       repaint();
 764       return;
 765     }
 766
 767     fileLoadingError = null;
 768
 769     if (fileName != null)
 770     {
 771
 772       //FILE LOADED OK
 773       ssm = StructureSelectionManager.getStructureSelectionManager();
 774       MCview.PDBfile pdbFile = ssm.setMapping(sequence,chains,pdbentry.getFile(), AppletFormatAdapter.FILE);
 775       ssm.addStructureViewerListener(this);
 776       Vector chains = new Vector();
 777       for(int i=0; i<pdbFile.chains.size(); i++)
 778       {
 779         chains.addElement(((MCview.PDBChain)pdbFile.chains.elementAt(i)).id);
 780       }
 781       setChainMenuItems(chains);
 782
 783       jmolpopup.updateComputedMenus();
 784
 785       if(!loadingFromArchive)
 786       {
 787         viewer.evalStringQuiet(
 788              "select backbone;restrict;cartoon;wireframe off;spacefill off");
 789
 790         colourBySequence(ap);
 791       }
 792       if (fr!=null)
 793         fr.featuresAdded();
 794
 795       loadingFromArchive = false;
 796     }
 797     else
 798       return;
 799   }
 800
 801   public void notifyFrameChanged(int frameNo)
 802   {
 803     boolean isAnimationRunning = (frameNo <= -2);
 804   }
 805
 806   public void notifyScriptStart(String statusMessage, String additionalInfo)
 807   {}
 808
 809   public void sendConsoleEcho(String strEcho)
 810   {
 811     if (scriptWindow != null)
 812       scriptWindow.sendConsoleEcho(strEcho);
 813   }
 814
 815   public void sendConsoleMessage(String strStatus)
 816   {
 817     if (scriptWindow != null)
 818       scriptWindow.sendConsoleMessage(strStatus);
 819   }
 820
 821   public void notifyScriptTermination(String strStatus, int msWalltime)
 822   {
 823     if (scriptWindow != null)
 824       scriptWindow.notifyScriptTermination(strStatus, msWalltime);
 825   }
 826
 827   public void handlePopupMenu(int x, int y)
 828   {
 829     jmolpopup.show(x, y);
 830   }
 831
 832   public void notifyNewPickingModeMeasurement(int iatom, String strMeasure)
 833   {
 834     notifyAtomPicked(iatom, strMeasure);
 835   }
 836
 837   public void notifyNewDefaultModeMeasurement(int count, String strInfo)
 838   {}
 839
 840   public void notifyAtomPicked(int atomIndex, String strInfo)
 841   {
 842     Matcher matcher = pattern.matcher(strInfo);
 843     matcher.find();
 844
 845     matcher.group(1);
 846     String resnum = new String(matcher.group(2));
 847     String chainId = matcher.group(3);
 848
 849     String picked = resnum;
 850
 851     if (chainId != null)
 852       picked+=(":"+chainId.substring(1, chainId.length()));
 853
 854     picked+=".C";
 855
 856     if (!atomsPicked.contains(picked))
 857     {
 858       if(chainId!=null)
 859       viewer.evalString("select "+picked+";label %n %r:%c");
 860     else
 861       viewer.evalString("select "+picked+";label %n %r");
 862       atomsPicked.addElement(picked);
 863     }
 864     else
 865     {
 866       viewer.evalString("select "+picked+";label off");
 867       atomsPicked.removeElement(picked);
 868     }
 869
 870     if (scriptWindow != null)
 871     {
 872       scriptWindow.sendConsoleMessage(strInfo);
 873       scriptWindow.sendConsoleMessage("\n");
 874     }
 875   }
 876
 877   public void notifyAtomHovered(int atomIndex, String strInfo)
 878   {
 879     mouseOverStructure(atomIndex, strInfo);
 880   }
 881
 882   public void sendSyncScript(String script, String appletName)
 883   {}
 884
 885   public void showUrl(String url)
 886   {}
 887
 888   public void showConsole(boolean showConsole)
 889   {
 890     if (scriptWindow == null)
 891       scriptWindow = new ScriptWindow(this);
 892
 893     if(showConsole)
 894     {
 895       if(splitPane==null)
 896       {
 897         splitPane = new JSplitPane(JSplitPane.VERTICAL_SPLIT);
 898         splitPane.setTopComponent(renderPanel);
 899         splitPane.setBottomComponent(scriptWindow);
 900         this.getContentPane().add(splitPane, BorderLayout.CENTER);
 901       }
 902
 903       splitPane.setDividerLocation(getHeight()-200);
 904       splitPane.validate();
 905     }
 906     else
 907     {
 908       if (splitPane != null)
 909         splitPane.setVisible(false);
 910
 911       splitPane = null;
 912
 913       this.getContentPane().add(renderPanel, BorderLayout.CENTER);
 914     }
 915
 916     validate();
 917   }
 918
 919   public float functionXY(String functionName, int x, int y)
 920   {
 921     return 0;
 922   }
 923
 924   ///End JmolStatusListener
 925   ///////////////////////////////
 926
 927
 928   class RenderPanel
 929       extends JPanel
 930   {
 931     final Dimension currentSize = new Dimension();
 932     final Rectangle rectClip = new Rectangle();
 933
 934     public void paintComponent(Graphics g)
 935     {
 936       getSize(currentSize);
 937       g.getClipBounds(rectClip);
 938
 939       if (viewer == null)
 940       {
 941         g.setColor(Color.black);
 942         g.fillRect(0, 0, currentSize.width, currentSize.height);
 943         g.setColor(Color.white);
 944         g.setFont(new Font("Verdana", Font.BOLD, 14));
 945         g.drawString("Retrieving PDB data....", 20, currentSize.height / 2);
 946       }
 947       else if(fileLoadingError!=null)
 948       {
 949         g.setColor(Color.black);
 950         g.fillRect(0, 0, currentSize.width, currentSize.height);
 951         g.setColor(Color.white);
 952         g.setFont(new Font("Verdana", Font.BOLD, 14));
 953         g.drawString("Error loading file..." + pdbentry.getId(), 20,
 954                      currentSize.height / 2);
 955       }
 956       else
 957       {
 958         viewer.renderScreenImage(g, currentSize, rectClip);
 959       }
 960     }
 961   }
 962
 963 }