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);
103 JMenuItem writeFeatures = new JMenuItem(
104 MessageManager.getString("label.create_chimera_attributes"));
105 writeFeatures.setToolTipText(MessageManager
106 .getString("label.create_chimera_attributes_tip"));
107 writeFeatures.addActionListener(new ActionListener()
110 public void actionPerformed(ActionEvent e)
112 sendFeaturesToChimera();
115 viewerActionMenu.add(writeFeatures);
117 final JMenu fetchAttributes = new JMenu(
118 MessageManager.getString("label.fetch_chimera_attributes"));
119 fetchAttributes.setToolTipText(
120 MessageManager.getString("label.fetch_chimera_attributes_tip"));
121 fetchAttributes.addMouseListener(new MouseAdapter()
125 public void mouseEntered(MouseEvent e)
127 buildAttributesMenu(fetchAttributes);
130 viewerActionMenu.add(fetchAttributes);
134 * Query Chimera for its residue attribute names and add them as items off the
137 * @param attributesMenu
139 protected void buildAttributesMenu(JMenu attributesMenu)
141 List<String> atts = jmb.sendChimeraCommand("list resattr", true);
146 attributesMenu.removeAll();
147 Collections.sort(atts);
148 for (String att : atts)
150 final String attName = att.split(" ")[1];
153 * ignore 'jv_*' attributes, as these are Jalview features that have
154 * been transferred to residue attributes in Chimera!
156 if (!attName.startsWith(ChimeraCommands.NAMESPACE_PREFIX))
158 JMenuItem menuItem = new JMenuItem(attName);
159 menuItem.addActionListener(new ActionListener()
162 public void actionPerformed(ActionEvent e)
164 getChimeraAttributes(attName);
167 attributesMenu.add(menuItem);
173 * Read residues in Chimera with the given attribute name, and set as features
174 * on the corresponding sequence positions (if any)
178 protected void getChimeraAttributes(String attName)
180 jmb.copyStructureAttributesToFeatures(attName, getAlignmentPanel());
184 * Send a command to Chimera to create residue attributes for Jalview features
186 * The syntax is: setattr r <attName> <attValue> <atomSpec>
188 * For example: setattr r jv:chain "Ferredoxin-1, Chloroplastic" #0:94.A
190 protected void sendFeaturesToChimera()
192 int count = jmb.sendFeaturesToViewer(getAlignmentPanel());
194 MessageManager.formatMessage("label.attributes_set", count));
198 * open a single PDB structure in a new Chimera view
205 public ChimeraViewFrame(PDBEntry pdbentry, SequenceI[] seq,
206 String[] chains, final AlignmentPanel ap)
210 openNewChimera(ap, new PDBEntry[] { pdbentry },
216 * Create a helper to manage progress bar display
218 protected void createProgressBar()
220 if (progressBar == null)
222 progressBar = new ProgressBar(statusPanel, statusBar);
226 private void openNewChimera(AlignmentPanel ap, PDBEntry[] pdbentrys,
230 jmb = new JalviewChimeraBindingModel(this,
231 ap.getStructureSelectionManager(), pdbentrys, seqs, null);
232 addAlignmentPanel(ap);
233 useAlignmentPanelForColourbyseq(ap);
235 if (pdbentrys.length > 1)
237 useAlignmentPanelForSuperposition(ap);
239 jmb.setColourBySequence(true);
240 setSize(myWidth, myHeight);
243 addingStructures = false;
244 worker = new Thread(this);
247 this.addInternalFrameListener(new InternalFrameAdapter()
250 public void internalFrameClosing(
251 InternalFrameEvent internalFrameEvent)
260 * Create a new viewer from saved session state data including Chimera session
263 * @param chimeraSessionFile
267 * @param colourByChimera
268 * @param colourBySequence
271 public ChimeraViewFrame(String chimeraSessionFile,
272 AlignmentPanel alignPanel, PDBEntry[] pdbArray,
273 SequenceI[][] seqsArray, boolean colourByChimera,
274 boolean colourBySequence, String newViewId)
277 setViewId(newViewId);
278 this.chimeraSessionFile = chimeraSessionFile;
279 openNewChimera(alignPanel, pdbArray, seqsArray);
282 jmb.setColourBySequence(false);
283 seqColour.setSelected(false);
284 viewerColour.setSelected(true);
286 else if (colourBySequence)
288 jmb.setColourBySequence(true);
289 seqColour.setSelected(true);
290 viewerColour.setSelected(false);
295 * create a new viewer containing several structures, optionally superimposed
296 * using the given alignPanel.
302 public ChimeraViewFrame(PDBEntry[] pe, boolean alignAdded,
307 setAlignAddedStructures(alignAdded);
308 openNewChimera(ap, pe, seqs);
312 * Default constructor
314 public ChimeraViewFrame()
319 * closeViewer will decide whether or not to close this frame
320 * depending on whether user chooses to Cancel or not
322 setDefaultCloseOperation(JInternalFrame.DO_NOTHING_ON_CLOSE);
326 * Launch Chimera. If we have a chimera session file name, send Chimera the
327 * command to open its saved session file.
331 jmb.setFinishedInit(false);
332 Desktop.addInternalFrame(this,
333 jmb.getViewerTitle(getViewerName(), true), getBounds().width,
336 if (!jmb.launchChimera())
338 JvOptionPane.showMessageDialog(Desktop.desktop,
339 MessageManager.getString("label.chimera_failed"),
340 MessageManager.getString("label.error_loading_file"),
341 JvOptionPane.ERROR_MESSAGE);
346 if (this.chimeraSessionFile != null)
348 boolean opened = jmb.openSession(chimeraSessionFile);
351 System.err.println("An error occurred opening Chimera session file "
352 + chimeraSessionFile);
356 jmb.startChimeraListener();
360 * Show only the selected chain(s) in the viewer
363 void showSelectedChains()
365 List<String> toshow = new ArrayList<>();
366 for (int i = 0; i < chainMenu.getItemCount(); i++)
368 if (chainMenu.getItem(i) instanceof JCheckBoxMenuItem)
370 JCheckBoxMenuItem item = (JCheckBoxMenuItem) chainMenu.getItem(i);
371 if (item.isSelected())
373 toshow.add(item.getText());
377 jmb.showChains(toshow);
381 * Close down this instance of Jalview's Chimera viewer, giving the user the
382 * option to close the associated Chimera window (process). They may wish to
383 * keep it open until they have had an opportunity to save any work.
385 * @param closeChimera
386 * if true, close any linked Chimera process; if false, prompt first
389 public void closeViewer(boolean closeChimera)
391 if (jmb != null && jmb.isChimeraRunning())
395 String prompt = MessageManager
396 .formatMessage("label.confirm_close_chimera", new Object[]
397 { jmb.getViewerTitle(getViewerName(), false) });
398 prompt = JvSwingUtils.wrapTooltip(true, prompt);
399 int confirm = JvOptionPane.showConfirmDialog(this, prompt,
400 MessageManager.getString("label.close_viewer"),
401 JvOptionPane.YES_NO_CANCEL_OPTION);
403 * abort closure if user hits escape or Cancel
405 if (confirm == JvOptionPane.CANCEL_OPTION
406 || confirm == JvOptionPane.CLOSED_OPTION)
410 closeChimera = confirm == JvOptionPane.YES_OPTION;
412 jmb.closeViewer(closeChimera);
414 setAlignmentPanel(null);
418 // TODO: check for memory leaks where instance isn't finalised because jmb
419 // holds a reference to the window
425 * Open any newly added PDB structures in Chimera, having first fetched data
426 * from PDB (if not already saved).
432 // todo - record which pdbids were successfully imported.
433 StringBuilder errormsgs = new StringBuilder(128);
434 StringBuilder files = new StringBuilder(128);
435 List<PDBEntry> filePDB = new ArrayList<>();
436 List<Integer> filePDBpos = new ArrayList<>();
437 PDBEntry thePdbEntry = null;
438 StructureFile pdb = null;
441 String[] curfiles = jmb.getStructureFiles(); // files currently in viewer
442 // TODO: replace with reference fetching/transfer code (validate PDBentry
444 for (int pi = 0; pi < jmb.getPdbCount(); pi++)
447 thePdbEntry = jmb.getPdbEntry(pi);
448 if (thePdbEntry.getFile() == null)
451 * Retrieve PDB data, save to file, attach to PDBEntry
453 file = fetchPdbFile(thePdbEntry);
456 errormsgs.append("'" + thePdbEntry.getId() + "' ");
462 * Got file already - ignore if already loaded in Chimera.
464 file = new File(thePdbEntry.getFile()).getAbsoluteFile()
466 if (curfiles != null && curfiles.length > 0)
468 addingStructures = true; // already files loaded.
469 for (int c = 0; c < curfiles.length; c++)
471 if (curfiles[c].equals(file))
481 filePDB.add(thePdbEntry);
482 filePDBpos.add(Integer.valueOf(pi));
483 files.append(" \"" + Platform.escapeString(file) + "\"");
486 } catch (OutOfMemoryError oomerror)
488 new OOMWarning("Retrieving PDB files: " + thePdbEntry.getId(),
490 } catch (Exception ex)
492 ex.printStackTrace();
494 "When retrieving pdbfiles for '" + thePdbEntry.getId() + "'");
496 if (errormsgs.length() > 0)
499 JvOptionPane.showInternalMessageDialog(Desktop.desktop,
500 MessageManager.formatMessage(
501 "label.pdb_entries_couldnt_be_retrieved", new Object[]
502 { errormsgs.toString() }),
503 MessageManager.getString("label.couldnt_load_file"),
504 JvOptionPane.ERROR_MESSAGE);
507 if (files.length() > 0)
509 jmb.setFinishedInit(false);
510 if (!addingStructures)
515 } catch (Exception ex)
517 Cache.log.error("Couldn't open Chimera viewer!", ex);
521 for (PDBEntry pe : filePDB)
524 if (pe.getFile() != null)
528 int pos = filePDBpos.get(num).intValue();
529 long startTime = startProgressBar(getViewerName() + " "
530 + MessageManager.getString("status.opening_file_for")
533 jmb.addSequence(pos, jmb.getSequence()[pos]);
534 File fl = new File(pe.getFile());
535 DataSourceType protocol = DataSourceType.URL;
540 protocol = DataSourceType.FILE;
542 } catch (Throwable e)
546 stopProgressBar("", startTime);
548 // Explicitly map to the filename used by Chimera ;
550 pdb = jmb.getSsm().setMapping(jmb.getSequence()[pos],
551 jmb.getChains()[pos], pe.getFile(), protocol,
553 stashFoundChains(pdb, pe.getFile());
555 } catch (OutOfMemoryError oomerror)
558 "When trying to open and map structures from Chimera!",
560 } catch (Exception ex)
563 "Couldn't open " + pe.getFile() + " in Chimera viewer!",
567 Cache.log.debug("File locations are " + files);
573 jmb.setFinishedInit(true);
574 jmb.setLoadingFromArchive(false);
577 * ensure that any newly discovered features (e.g. RESNUM)
578 * are added to any open feature settings dialog
580 FeatureRenderer fr = getBinding().getFeatureRenderer(null);
586 // refresh the sequence colours for the new structure(s)
587 for (AlignmentPanel ap : _colourwith)
589 jmb.updateColours(ap);
591 // do superposition if asked to
592 if (alignAddedStructures)
594 new Thread(new Runnable()
599 alignStructs_withAllAlignPanels();
603 addingStructures = false;
610 * Fetch PDB data and save to a local file. Returns the full path to the file,
611 * or null if fetch fails. TODO: refactor to common with Jmol ? duplication
613 * @param processingEntry
618 private void stashFoundChains(StructureFile pdb, String file)
620 for (int i = 0; i < pdb.getChains().size(); i++)
622 String chid = new String(
623 pdb.getId() + ":" + pdb.getChains().elementAt(i).id);
624 jmb.getChainNames().add(chid);
625 jmb.getChainFile().put(chid, file);
629 private String fetchPdbFile(PDBEntry processingEntry) throws Exception
631 String filePath = null;
632 Pdb pdbclient = new Pdb();
633 AlignmentI pdbseq = null;
634 String pdbid = processingEntry.getId();
635 long handle = System.currentTimeMillis()
636 + Thread.currentThread().hashCode();
639 * Write 'fetching PDB' progress on AlignFrame as we are not yet visible
641 String msg = MessageManager.formatMessage("status.fetching_pdb",
644 getAlignmentPanel().alignFrame.setProgressBar(msg, handle);
645 // long hdl = startProgressBar(MessageManager.formatMessage(
646 // "status.fetching_pdb", new Object[]
650 pdbseq = pdbclient.getSequenceRecords(pdbid);
651 } catch (OutOfMemoryError oomerror)
653 new OOMWarning("Retrieving PDB id " + pdbid, oomerror);
656 msg = pdbid + " " + MessageManager.getString("label.state_completed");
657 getAlignmentPanel().alignFrame.setProgressBar(msg, handle);
658 // stopProgressBar(msg, hdl);
661 * If PDB data were saved and are not invalid (empty alignment), return the
664 if (pdbseq != null && pdbseq.getHeight() > 0)
666 // just use the file name from the first sequence's first PDBEntry
667 filePath = new File(pdbseq.getSequenceAt(0).getAllPDBEntries()
668 .elementAt(0).getFile()).getAbsolutePath();
669 processingEntry.setFile(filePath);
675 * Convenience method to update the progress bar if there is one. Be sure to
676 * call stopProgressBar with the returned handle to remove the message.
681 public long startProgressBar(String msg)
683 // TODO would rather have startProgress/stopProgress as the
684 // IProgressIndicator interface
685 long tm = random.nextLong();
686 if (progressBar != null)
688 progressBar.setProgressBar(msg, tm);
694 * End the progress bar with the specified handle, leaving a message (if not
695 * null) on the status bar
700 public void stopProgressBar(String msg, long handle)
702 if (progressBar != null)
704 progressBar.setProgressBar(msg, handle);
709 public void eps_actionPerformed(ActionEvent e)
711 throw new Error(MessageManager
712 .getString("error.eps_generation_not_implemented"));
716 public void png_actionPerformed(ActionEvent e)
718 throw new Error(MessageManager
719 .getString("error.png_generation_not_implemented"));
723 public void showHelp_actionPerformed(ActionEvent actionEvent)
728 .openURL("https://www.cgl.ucsf.edu/chimera/docs/UsersGuide");
729 } catch (IOException ex)
735 public AAStructureBindingModel getBinding()
741 * Ask Chimera to save its session to the designated file path, or to a
742 * temporary file if the path is null. Returns the file path if successful,
748 protected String saveSession(String filepath)
750 String pathUsed = filepath;
753 if (pathUsed == null)
755 File tempFile = File.createTempFile("chimera", ".py");
756 tempFile.deleteOnExit();
757 pathUsed = tempFile.getPath();
759 boolean result = jmb.saveSession(pathUsed);
762 this.chimeraSessionFile = pathUsed;
765 } catch (IOException e)
772 * Returns a string representing the state of the Chimera session. This is
773 * done by requesting Chimera to save its session to a temporary file, then
774 * reading the file contents. Returns an empty string on any error.
777 public String getStateInfo()
779 String sessionFile = saveSession(null);
780 if (sessionFile == null)
784 InputStream is = null;
787 File f = new File(sessionFile);
788 byte[] bytes = new byte[(int) f.length()];
789 is = new FileInputStream(sessionFile);
791 return new String(bytes);
792 } catch (IOException e)
802 } catch (IOException e)
811 protected void fitToWindow_actionPerformed()
817 public ViewerType getViewerType()
819 return ViewerType.CHIMERA;
823 protected String getViewerName()
829 * Sends commands to align structures according to associated alignment(s).
834 protected String alignStructs_withAllAlignPanels()
836 String reply = super.alignStructs_withAllAlignPanels();
839 statusBar.setText("Superposition failed: " + reply);
845 protected IProgressIndicator getIProgressIndicator()