2 * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
3 * Copyright (C) $$Year-Rel$$ The Jalview Authors
5 * This file is part of Jalview.
7 * Jalview is free software: you can redistribute it and/or
8 * modify it under the terms of the GNU General Public License
9 * as published by the Free Software Foundation, either version 3
10 * of the License, or (at your option) any later version.
12 * Jalview is distributed in the hope that it will be useful, but
13 * WITHOUT ANY WARRANTY; without even the implied warranty
14 * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
15 * PURPOSE. See the GNU General Public License for more details.
17 * You should have received a copy of the GNU General Public License
18 * along with Jalview. If not, see <http://www.gnu.org/licenses/>.
19 * The Jalview Authors are detailed in the 'AUTHORS' file.
23 import jalview.api.FeatureRenderer;
24 import jalview.bin.Cache;
25 import jalview.datamodel.AlignmentI;
26 import jalview.datamodel.PDBEntry;
27 import jalview.datamodel.SequenceI;
28 import jalview.ext.rbvi.chimera.ChimeraCommands;
29 import jalview.ext.rbvi.chimera.JalviewChimeraBinding;
30 import jalview.gui.StructureViewer.ViewerType;
31 import jalview.io.DataSourceType;
32 import jalview.io.StructureFile;
33 import jalview.structures.models.AAStructureBindingModel;
34 import jalview.util.BrowserLauncher;
35 import jalview.util.MessageManager;
36 import jalview.util.Platform;
37 import jalview.ws.dbsources.Pdb;
39 import java.awt.event.ActionEvent;
40 import java.awt.event.ActionListener;
41 import java.awt.event.MouseAdapter;
42 import java.awt.event.MouseEvent;
44 import java.io.FileInputStream;
45 import java.io.IOException;
46 import java.io.InputStream;
47 import java.util.ArrayList;
48 import java.util.Collections;
49 import java.util.List;
50 import java.util.Random;
52 import javax.swing.JCheckBoxMenuItem;
53 import javax.swing.JInternalFrame;
54 import javax.swing.JMenu;
55 import javax.swing.JMenuItem;
56 import javax.swing.event.InternalFrameAdapter;
57 import javax.swing.event.InternalFrameEvent;
60 * GUI elements for handling an external chimera display
65 public class ChimeraViewFrame extends StructureViewerBase
67 private JalviewChimeraBinding jmb;
69 private IProgressIndicator progressBar = null;
72 * Path to Chimera session file. This is set when an open Jalview/Chimera
73 * session is saved, or on restore from a Jalview project (if it holds the
74 * filename of any saved Chimera sessions).
76 private String chimeraSessionFile = null;
78 private Random random = new Random();
80 private int myWidth = 500;
82 private int myHeight = 150;
85 * Initialise menu options.
88 protected void initMenus()
92 viewerActionMenu.setText(MessageManager.getString("label.chimera"));
95 .setText(MessageManager.getString("label.colour_with_chimera"));
96 viewerColour.setToolTipText(MessageManager
97 .getString("label.let_chimera_manage_structure_colours"));
99 helpItem.setText(MessageManager.getString("label.chimera_help"));
100 savemenu.setVisible(false); // not yet implemented
101 viewMenu.add(fitToWindow);
104 * exchange of Jalview features and Chimera attributes is for now
105 * an optionally enabled experimental feature
107 if (Desktop.instance.showExperimental())
109 JMenuItem writeFeatures = new JMenuItem(
110 MessageManager.getString("label.create_chimera_attributes"));
111 writeFeatures.setToolTipText(MessageManager
112 .getString("label.create_chimera_attributes_tip"));
113 writeFeatures.addActionListener(new ActionListener()
116 public void actionPerformed(ActionEvent e)
118 sendFeaturesToChimera();
121 viewerActionMenu.add(writeFeatures);
123 final JMenu fetchAttributes = new JMenu(
124 MessageManager.getString("label.fetch_chimera_attributes"));
125 fetchAttributes.setToolTipText(MessageManager
126 .getString("label.fetch_chimera_attributes_tip"));
127 fetchAttributes.addMouseListener(new MouseAdapter()
131 public void mouseEntered(MouseEvent e)
133 buildAttributesMenu(fetchAttributes);
136 viewerActionMenu.add(fetchAttributes);
141 * Query Chimera for its residue attribute names and add them as items off the
144 * @param attributesMenu
146 protected void buildAttributesMenu(JMenu attributesMenu)
148 List<String> atts = jmb.sendChimeraCommand("list resattr", true);
153 attributesMenu.removeAll();
154 Collections.sort(atts);
155 for (String att : atts)
157 final String attName = att.split(" ")[1];
160 * ignore 'jv_*' attributes, as these are Jalview features that have
161 * been transferred to residue attributes in Chimera!
163 if (!attName.startsWith(ChimeraCommands.NAMESPACE_PREFIX))
165 JMenuItem menuItem = new JMenuItem(attName);
166 menuItem.addActionListener(new ActionListener()
169 public void actionPerformed(ActionEvent e)
171 getChimeraAttributes(attName);
174 attributesMenu.add(menuItem);
180 * Read residues in Chimera with the given attribute name, and set as features
181 * on the corresponding sequence positions (if any)
185 protected void getChimeraAttributes(String attName)
187 jmb.copyStructureAttributesToFeatures(attName, getAlignmentPanel());
191 * Send a command to Chimera to create residue attributes for Jalview features
193 * The syntax is: setattr r <attName> <attValue> <atomSpec>
195 * For example: setattr r jv:chain "Ferredoxin-1, Chloroplastic" #0:94.A
197 protected void sendFeaturesToChimera()
199 int count = jmb.sendFeaturesToViewer(getAlignmentPanel());
201 MessageManager.formatMessage("label.attributes_set", count));
205 * open a single PDB structure in a new Chimera view
212 public ChimeraViewFrame(PDBEntry pdbentry, SequenceI[] seq,
213 String[] chains, final AlignmentPanel ap)
217 openNewChimera(ap, new PDBEntry[] { pdbentry },
223 * Create a helper to manage progress bar display
225 protected void createProgressBar()
227 if (progressBar == null)
229 progressBar = new ProgressBar(statusPanel, statusBar);
233 private void openNewChimera(AlignmentPanel ap, PDBEntry[] pdbentrys,
237 jmb = new JalviewChimeraBindingModel(this,
238 ap.getStructureSelectionManager(), pdbentrys, seqs, null);
239 addAlignmentPanel(ap);
240 useAlignmentPanelForColourbyseq(ap);
242 if (pdbentrys.length > 1)
244 alignAddedStructures = true;
245 useAlignmentPanelForSuperposition(ap);
247 jmb.setColourBySequence(true);
248 setSize(myWidth, myHeight);
251 addingStructures = false;
252 worker = new Thread(this);
255 this.addInternalFrameListener(new InternalFrameAdapter()
258 public void internalFrameClosing(
259 InternalFrameEvent internalFrameEvent)
268 * Create a new viewer from saved session state data including Chimera session
271 * @param chimeraSessionFile
275 * @param colourByChimera
276 * @param colourBySequence
279 public ChimeraViewFrame(String chimeraSessionFile,
280 AlignmentPanel alignPanel, PDBEntry[] pdbArray,
281 SequenceI[][] seqsArray, boolean colourByChimera,
282 boolean colourBySequence, String newViewId)
285 setViewId(newViewId);
286 this.chimeraSessionFile = chimeraSessionFile;
287 openNewChimera(alignPanel, pdbArray, seqsArray);
290 jmb.setColourBySequence(false);
291 seqColour.setSelected(false);
292 viewerColour.setSelected(true);
294 else if (colourBySequence)
296 jmb.setColourBySequence(true);
297 seqColour.setSelected(true);
298 viewerColour.setSelected(false);
303 * create a new viewer containing several structures superimposed using the
310 public ChimeraViewFrame(PDBEntry[] pe, SequenceI[][] seqs,
314 openNewChimera(ap, pe, seqs);
318 * Default constructor
320 public ChimeraViewFrame()
325 * closeViewer will decide whether or not to close this frame
326 * depending on whether user chooses to Cancel or not
328 setDefaultCloseOperation(JInternalFrame.DO_NOTHING_ON_CLOSE);
332 * Launch Chimera. If we have a chimera session file name, send Chimera the
333 * command to open its saved session file.
337 jmb.setFinishedInit(false);
338 Desktop.addInternalFrame(this,
339 jmb.getViewerTitle(getViewerName(), true), getBounds().width,
342 if (!jmb.launchChimera())
344 JvOptionPane.showMessageDialog(Desktop.desktop,
345 MessageManager.getString("label.chimera_failed"),
346 MessageManager.getString("label.error_loading_file"),
347 JvOptionPane.ERROR_MESSAGE);
352 if (this.chimeraSessionFile != null)
354 boolean opened = jmb.openSession(chimeraSessionFile);
357 System.err.println("An error occurred opening Chimera session file "
358 + chimeraSessionFile);
362 jmb.startChimeraListener();
366 * Show only the selected chain(s) in the viewer
369 void showSelectedChains()
371 List<String> toshow = new ArrayList<>();
372 for (int i = 0; i < chainMenu.getItemCount(); i++)
374 if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem)
376 JCheckBoxMenuItem item = (JCheckBoxMenuItem) chainMenu.getItem(i);
377 if (item.isSelected())
379 toshow.add(item.getText());
383 jmb.showChains(toshow);
387 * Close down this instance of Jalview's Chimera viewer, giving the user the
388 * option to close the associated Chimera window (process). They may wish to
389 * keep it open until they have had an opportunity to save any work.
391 * @param closeChimera
392 * if true, close any linked Chimera process; if false, prompt first
395 public void closeViewer(boolean closeChimera)
397 if (jmb != null && jmb.isChimeraRunning())
401 String prompt = MessageManager
402 .formatMessage("label.confirm_close_chimera", new Object[]
403 { jmb.getViewerTitle(getViewerName(), false) });
404 prompt = JvSwingUtils.wrapTooltip(true, prompt);
405 int confirm = JvOptionPane.showConfirmDialog(this, prompt,
406 MessageManager.getString("label.close_viewer"),
407 JvOptionPane.YES_NO_CANCEL_OPTION);
409 * abort closure if user hits escape or Cancel
411 if (confirm == JvOptionPane.CANCEL_OPTION
412 || confirm == JvOptionPane.CLOSED_OPTION)
416 closeChimera = confirm == JvOptionPane.YES_OPTION;
418 jmb.closeViewer(closeChimera);
420 setAlignmentPanel(null);
424 // TODO: check for memory leaks where instance isn't finalised because jmb
425 // holds a reference to the window
431 * Open any newly added PDB structures in Chimera, having first fetched data
432 * from PDB (if not already saved).
438 // todo - record which pdbids were successfully imported.
439 StringBuilder errormsgs = new StringBuilder(128);
440 StringBuilder files = new StringBuilder(128);
441 List<PDBEntry> filePDB = new ArrayList<>();
442 List<Integer> filePDBpos = new ArrayList<>();
443 PDBEntry thePdbEntry = null;
444 StructureFile pdb = null;
447 String[] curfiles = jmb.getStructureFiles(); // files currently in viewer
448 // TODO: replace with reference fetching/transfer code (validate PDBentry
450 for (int pi = 0; pi < jmb.getPdbCount(); pi++)
453 thePdbEntry = jmb.getPdbEntry(pi);
454 if (thePdbEntry.getFile() == null)
457 * Retrieve PDB data, save to file, attach to PDBEntry
459 file = fetchPdbFile(thePdbEntry);
462 errormsgs.append("'" + thePdbEntry.getId() + "' ");
468 * Got file already - ignore if already loaded in Chimera.
470 file = new File(thePdbEntry.getFile()).getAbsoluteFile()
472 if (curfiles != null && curfiles.length > 0)
474 addingStructures = true; // already files loaded.
475 for (int c = 0; c < curfiles.length; c++)
477 if (curfiles[c].equals(file))
487 filePDB.add(thePdbEntry);
488 filePDBpos.add(Integer.valueOf(pi));
489 files.append(" \"" + Platform.escapeString(file) + "\"");
492 } catch (OutOfMemoryError oomerror)
494 new OOMWarning("Retrieving PDB files: " + thePdbEntry.getId(),
496 } catch (Exception ex)
498 ex.printStackTrace();
500 "When retrieving pdbfiles for '" + thePdbEntry.getId() + "'");
502 if (errormsgs.length() > 0)
505 JvOptionPane.showInternalMessageDialog(Desktop.desktop,
506 MessageManager.formatMessage(
507 "label.pdb_entries_couldnt_be_retrieved", new Object[]
508 { errormsgs.toString() }),
509 MessageManager.getString("label.couldnt_load_file"),
510 JvOptionPane.ERROR_MESSAGE);
513 if (files.length() > 0)
515 jmb.setFinishedInit(false);
516 if (!addingStructures)
521 } catch (Exception ex)
523 Cache.log.error("Couldn't open Chimera viewer!", ex);
527 for (PDBEntry pe : filePDB)
530 if (pe.getFile() != null)
534 int pos = filePDBpos.get(num).intValue();
535 long startTime = startProgressBar(getViewerName() + " "
536 + MessageManager.getString("status.opening_file_for")
539 jmb.addSequence(pos, jmb.getSequence()[pos]);
540 File fl = new File(pe.getFile());
541 DataSourceType protocol = DataSourceType.URL;
546 protocol = DataSourceType.FILE;
548 } catch (Throwable e)
552 stopProgressBar("", startTime);
554 // Explicitly map to the filename used by Chimera ;
556 pdb = jmb.getSsm().setMapping(jmb.getSequence()[pos],
557 jmb.getChains()[pos], pe.getFile(), protocol,
559 stashFoundChains(pdb, pe.getFile());
561 } catch (OutOfMemoryError oomerror)
564 "When trying to open and map structures from Chimera!",
566 } catch (Exception ex)
569 "Couldn't open " + pe.getFile() + " in Chimera viewer!",
573 Cache.log.debug("File locations are " + files);
579 jmb.setFinishedInit(true);
580 jmb.setLoadingFromArchive(false);
583 * ensure that any newly discovered features (e.g. RESNUM)
584 * are added to any open feature settings dialog
586 FeatureRenderer fr = getBinding().getFeatureRenderer(null);
592 // refresh the sequence colours for the new structure(s)
593 for (AlignmentPanel ap : _colourwith)
595 jmb.updateColours(ap);
597 // do superposition if asked to
598 if (Cache.getDefault("AUTOSUPERIMPOSE", true) && alignAddedStructures)
600 new Thread(new Runnable()
605 alignStructs_withAllAlignPanels();
608 alignAddedStructures = false;
610 addingStructures = false;
617 * Fetch PDB data and save to a local file. Returns the full path to the file,
618 * or null if fetch fails. TODO: refactor to common with Jmol ? duplication
620 * @param processingEntry
625 private void stashFoundChains(StructureFile pdb, String file)
627 for (int i = 0; i < pdb.getChains().size(); i++)
629 String chid = new String(
630 pdb.getId() + ":" + pdb.getChains().elementAt(i).id);
631 jmb.getChainNames().add(chid);
632 jmb.getChainFile().put(chid, file);
636 private String fetchPdbFile(PDBEntry processingEntry) throws Exception
638 // FIXME: this is duplicated code with Jmol frame ?
639 String filePath = null;
640 Pdb pdbclient = new Pdb();
641 AlignmentI pdbseq = null;
642 String pdbid = processingEntry.getId();
643 long handle = System.currentTimeMillis()
644 + Thread.currentThread().hashCode();
647 * Write 'fetching PDB' progress on AlignFrame as we are not yet visible
649 String msg = MessageManager.formatMessage("status.fetching_pdb",
652 getAlignmentPanel().alignFrame.setProgressBar(msg, handle);
653 // long hdl = startProgressBar(MessageManager.formatMessage(
654 // "status.fetching_pdb", new Object[]
658 pdbseq = pdbclient.getSequenceRecords(pdbid);
659 } catch (OutOfMemoryError oomerror)
661 new OOMWarning("Retrieving PDB id " + pdbid, oomerror);
664 msg = pdbid + " " + MessageManager.getString("label.state_completed");
665 getAlignmentPanel().alignFrame.setProgressBar(msg, handle);
666 // stopProgressBar(msg, hdl);
669 * If PDB data were saved and are not invalid (empty alignment), return the
672 if (pdbseq != null && pdbseq.getHeight() > 0)
674 // just use the file name from the first sequence's first PDBEntry
675 filePath = new File(pdbseq.getSequenceAt(0).getAllPDBEntries()
676 .elementAt(0).getFile()).getAbsolutePath();
677 processingEntry.setFile(filePath);
683 * Convenience method to update the progress bar if there is one. Be sure to
684 * call stopProgressBar with the returned handle to remove the message.
689 public long startProgressBar(String msg)
691 // TODO would rather have startProgress/stopProgress as the
692 // IProgressIndicator interface
693 long tm = random.nextLong();
694 if (progressBar != null)
696 progressBar.setProgressBar(msg, tm);
702 * End the progress bar with the specified handle, leaving a message (if not
703 * null) on the status bar
708 public void stopProgressBar(String msg, long handle)
710 if (progressBar != null)
712 progressBar.setProgressBar(msg, handle);
717 public void eps_actionPerformed(ActionEvent e)
719 throw new Error(MessageManager
720 .getString("error.eps_generation_not_implemented"));
724 public void png_actionPerformed(ActionEvent e)
726 throw new Error(MessageManager
727 .getString("error.png_generation_not_implemented"));
731 public void showHelp_actionPerformed(ActionEvent actionEvent)
736 .openURL("https://www.cgl.ucsf.edu/chimera/docs/UsersGuide");
737 } catch (IOException ex)
743 public AAStructureBindingModel getBinding()
749 * Ask Chimera to save its session to the designated file path, or to a
750 * temporary file if the path is null. Returns the file path if successful,
756 protected String saveSession(String filepath)
758 String pathUsed = filepath;
761 if (pathUsed == null)
763 File tempFile = File.createTempFile("chimera", ".py");
764 tempFile.deleteOnExit();
765 pathUsed = tempFile.getPath();
767 boolean result = jmb.saveSession(pathUsed);
770 this.chimeraSessionFile = pathUsed;
773 } catch (IOException e)
780 * Returns a string representing the state of the Chimera session. This is
781 * done by requesting Chimera to save its session to a temporary file, then
782 * reading the file contents. Returns an empty string on any error.
785 public String getStateInfo()
787 String sessionFile = saveSession(null);
788 if (sessionFile == null)
792 InputStream is = null;
795 File f = new File(sessionFile);
796 byte[] bytes = new byte[(int) f.length()];
797 is = new FileInputStream(sessionFile);
799 return new String(bytes);
800 } catch (IOException e)
810 } catch (IOException e)
819 protected void fitToWindow_actionPerformed()
825 public ViewerType getViewerType()
827 return ViewerType.CHIMERA;
831 protected String getViewerName()
837 * Sends commands to align structures according to associated alignment(s).
842 protected String alignStructs_withAllAlignPanels()
844 String reply = super.alignStructs_withAllAlignPanels();
847 statusBar.setText("Superposition failed: " + reply);
853 protected IProgressIndicator getIProgressIndicator()