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.
21 package jalview.ext.rbvi.chimera;
23 import jalview.api.AlignmentViewPanel;
24 import jalview.api.FeatureRenderer;
25 import jalview.api.SequenceRenderer;
26 import jalview.api.structures.JalviewStructureDisplayI;
27 import jalview.bin.Cache;
28 import jalview.datamodel.AlignmentI;
29 import jalview.datamodel.ColumnSelection;
30 import jalview.datamodel.PDBEntry;
31 import jalview.datamodel.SequenceI;
32 import jalview.httpserver.AbstractRequestHandler;
33 import jalview.schemes.ColourSchemeI;
34 import jalview.schemes.ResidueProperties;
35 import jalview.structure.AtomSpec;
36 import jalview.structure.StructureMappingcommandSet;
37 import jalview.structure.StructureSelectionManager;
38 import jalview.structures.models.AAStructureBindingModel;
39 import jalview.util.MessageManager;
41 import java.awt.Color;
42 import java.net.BindException;
43 import java.util.ArrayList;
44 import java.util.LinkedHashMap;
45 import java.util.List;
48 import ext.edu.ucsf.rbvi.strucviz2.ChimeraManager;
49 import ext.edu.ucsf.rbvi.strucviz2.ChimeraModel;
50 import ext.edu.ucsf.rbvi.strucviz2.StructureManager;
51 import ext.edu.ucsf.rbvi.strucviz2.StructureManager.ModelType;
53 public abstract class JalviewChimeraBinding extends AAStructureBindingModel
55 // Chimera clause to exclude alternate locations in atom selection
56 private static final String NO_ALTLOCS = "&~@.B-Z&~@.2-9";
58 private static final String COLOURING_CHIMERA = MessageManager
59 .getString("status.colouring_chimera");
61 private static final boolean debug = false;
63 private static final String PHOSPHORUS = "P";
65 private static final String ALPHACARBON = "CA";
68 * Object through which we talk to Chimera
70 private ChimeraManager viewer;
73 * Object which listens to Chimera notifications
75 private AbstractRequestHandler chimeraListener;
78 * set if chimera state is being restored from some source - instructs binding
79 * not to apply default display style when structure set is updated for first
82 private boolean loadingFromArchive = false;
85 * flag to indicate if the Chimera viewer should ignore sequence colouring
86 * events from the structure manager because the GUI is still setting up
88 private boolean loadingFinished = true;
90 public String fileLoadingError;
93 * Map of ChimeraModel objects keyed by PDB full local file name
95 private Map<String, List<ChimeraModel>> chimeraMaps = new LinkedHashMap<String, List<ChimeraModel>>();
98 * the default or current model displayed if the model cannot be identified
99 * from the selection message
101 private int frameNo = 0;
103 private String lastCommand;
105 String lastHighlightCommand;
108 * incremented every time a load notification is successfully handled -
109 * lightweight mechanism for other threads to detect when they can start
110 * referring to new structures.
112 private long loadNotifiesHandled = 0;
114 private Thread chimeraMonitor;
117 * Open a PDB structure file in Chimera and set up mappings from Jalview.
119 * We check if the PDB model id is already loaded in Chimera, if so don't
120 * reopen it. This is the case if Chimera has opened a saved session file.
125 public boolean openFile(PDBEntry pe)
127 String file = pe.getFile();
130 List<ChimeraModel> modelsToMap = new ArrayList<ChimeraModel>();
131 List<ChimeraModel> oldList = viewer.getModelList();
132 boolean alreadyOpen = false;
135 * If Chimera already has this model, don't reopen it, but do remap it.
137 for (ChimeraModel open : oldList)
139 if (open.getModelName().equals(pe.getId()))
142 modelsToMap.add(open);
147 * If Chimera doesn't yet have this model, ask it to open it, and retrieve
148 * the model name(s) added by Chimera.
152 viewer.openModel(file, pe.getId(), ModelType.PDB_MODEL);
153 List<ChimeraModel> newList = viewer.getModelList();
154 // JAL-1728 newList.removeAll(oldList) does not work
155 for (ChimeraModel cm : newList)
157 if (cm.getModelName().equals(pe.getId()))
164 chimeraMaps.put(file, modelsToMap);
166 if (getSsm() != null)
168 getSsm().addStructureViewerListener(this);
169 // ssm.addSelectionListener(this);
170 FeatureRenderer fr = getFeatureRenderer(null);
178 } catch (Exception q)
180 log("Exception when trying to open model " + file + "\n"
196 public JalviewChimeraBinding(StructureSelectionManager ssm,
197 PDBEntry[] pdbentry, SequenceI[][] sequenceIs, String[][] chains,
200 super(ssm, pdbentry, sequenceIs, chains, protocol);
201 viewer = new ChimeraManager(new StructureManager(true));
205 * Starts a thread that waits for the Chimera process to finish, so that we
206 * can then close the associated resources. This avoids leaving orphaned
207 * Chimera viewer panels in Jalview if the user closes Chimera.
209 protected void startChimeraProcessMonitor()
211 final Process p = viewer.getChimeraProcess();
212 chimeraMonitor = new Thread(new Runnable()
221 JalviewStructureDisplayI display = getViewer();
224 display.closeViewer(false);
226 } catch (InterruptedException e)
228 // exit thread if Chimera Viewer is closed in Jalview
232 chimeraMonitor.start();
236 * Start a dedicated HttpServer to listen for Chimera notifications, and tell
237 * it to start listening
239 public void startChimeraListener()
243 chimeraListener = new ChimeraListener(this);
244 viewer.startListening(chimeraListener.getUri());
245 } catch (BindException e)
247 System.err.println("Failed to start Chimera listener: "
253 * Construct a title string for the viewer window based on the data Jalview
259 public String getViewerTitle(boolean verbose)
261 return getViewerTitle("Chimera", verbose);
265 * Tells Chimera to display only the specified chains
269 public void showChains(List<String> toshow)
272 * Construct a chimera command like
274 * ~display #*;~ribbon #*;ribbon :.A,:.B
276 StringBuilder cmd = new StringBuilder(64);
277 boolean first = true;
278 for (String chain : toshow)
284 cmd.append(":.").append(chain);
289 * could append ";focus" to this command to resize the display to fill the
290 * window, but it looks more helpful not to (easier to relate chains to the
293 final String command = "~display #*; ~ribbon #*; ribbon "
295 sendChimeraCommand(command, false);
299 * Close down the Jalview viewer and listener, and (optionally) the associated
302 public void closeViewer(boolean closeChimera)
304 getSsm().removeStructureViewerListener(this, this.getPdbFile());
307 viewer.exitChimera();
309 if (this.chimeraListener != null)
311 chimeraListener.shutdown();
312 chimeraListener = null;
317 if (chimeraMonitor != null)
319 chimeraMonitor.interrupt();
321 releaseUIResources();
324 public void colourByChain()
326 colourBySequence = false;
327 sendAsynchronousCommand("rainbow chain", COLOURING_CHIMERA);
331 * Constructs and sends a Chimera command to colour by charge
333 * <li>Aspartic acid and Glutamic acid (negative charge) red</li>
334 * <li>Lysine and Arginine (positive charge) blue</li>
335 * <li>Cysteine - yellow</li>
336 * <li>all others - white</li>
339 public void colourByCharge()
341 colourBySequence = false;
342 String command = "color white;color red ::ASP;color red ::GLU;color blue ::LYS;color blue ::ARG;color yellow ::CYS";
343 sendAsynchronousCommand(command, COLOURING_CHIMERA);
347 * Construct and send a command to align structures against a reference
348 * structure, based on one or more sequence alignments
351 * an array of alignments to process
352 * @param _refStructure
353 * an array of corresponding reference structures (index into pdb
354 * file array); if a negative value is passed, the first PDB file
355 * mapped to an alignment sequence is used as the reference for
358 * an array of corresponding hidden columns for each alignment
360 public void superposeStructures(AlignmentI[] _alignment,
361 int[] _refStructure, ColumnSelection[] _hiddenCols)
363 StringBuilder allComs = new StringBuilder(128);
364 String[] files = getPdbFile();
366 if (!waitForFileLoad(files))
372 StringBuilder selectioncom = new StringBuilder(256);
373 for (int a = 0; a < _alignment.length; a++)
375 int refStructure = _refStructure[a];
376 AlignmentI alignment = _alignment[a];
377 ColumnSelection hiddenCols = _hiddenCols[a];
379 if (refStructure >= files.length)
381 System.err.println("Ignoring invalid reference structure value "
387 * 'matched' array will hold 'true' for visible alignment columns where
388 * all sequences have a residue with a mapping to the PDB structure
390 boolean matched[] = new boolean[alignment.getWidth()];
391 for (int m = 0; m < matched.length; m++)
393 matched[m] = (hiddenCols != null) ? hiddenCols.isVisible(m) : true;
396 SuperposeData[] structures = new SuperposeData[files.length];
397 for (int f = 0; f < files.length; f++)
399 structures[f] = new SuperposeData(alignment.getWidth());
403 * Calculate the superposable alignment columns ('matched'), and the
404 * corresponding structure residue positions (structures.pdbResNo)
406 int candidateRefStructure = findSuperposableResidues(alignment,
407 matched, structures);
408 if (refStructure < 0)
411 * If no reference structure was specified, pick the first one that has
412 * a mapping in the alignment
414 refStructure = candidateRefStructure;
418 for (boolean b : matched)
427 // TODO: bail out here because superposition illdefined?
431 * Generate select statements to select regions to superimpose structures
433 String[] selcom = new String[files.length];
434 for (int pdbfnum = 0; pdbfnum < files.length; pdbfnum++)
436 String chainCd = "." + structures[pdbfnum].chain;
439 StringBuilder molsel = new StringBuilder();
440 for (int r = 0; r < matched.length; r++)
444 int pdbResNum = structures[pdbfnum].pdbResNo[r];
445 if (lpos != pdbResNum - 1)
448 * discontiguous - append last residue now
452 molsel.append(String.valueOf(lpos));
453 molsel.append(chainCd);
461 * extending a contiguous run
466 * start the range selection
468 molsel.append(String.valueOf(lpos));
478 * and terminate final selection
482 molsel.append(String.valueOf(lpos));
483 molsel.append(chainCd);
485 if (molsel.length() > 1)
487 selcom[pdbfnum] = molsel.toString();
488 selectioncom.append("#").append(String.valueOf(pdbfnum))
490 selectioncom.append(selcom[pdbfnum]);
491 selectioncom.append(" ");
492 if (pdbfnum < files.length - 1)
494 selectioncom.append("| ");
499 selcom[pdbfnum] = null;
503 StringBuilder command = new StringBuilder(256);
504 for (int pdbfnum = 0; pdbfnum < files.length; pdbfnum++)
506 if (pdbfnum == refStructure || selcom[pdbfnum] == null
507 || selcom[refStructure] == null)
511 if (command.length() > 0)
517 * Form Chimera match command, from the 'new' structure to the
518 * 'reference' structure e.g. (50 residues, chain B/A, alphacarbons):
520 * match #1:1-30.B,81-100.B@CA #0:21-40.A,61-90.A@CA
523 * https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/match.html
525 command.append("match ").append(getModelSpec(pdbfnum)).append(":");
526 command.append(selcom[pdbfnum]);
527 command.append("@").append(
528 structures[pdbfnum].isRna ? PHOSPHORUS : ALPHACARBON);
529 // JAL-1757 exclude alternate CA locations
530 command.append(NO_ALTLOCS);
531 command.append(" ").append(getModelSpec(refStructure)).append(":");
532 command.append(selcom[refStructure]);
533 command.append("@").append(
534 structures[refStructure].isRna ? PHOSPHORUS : ALPHACARBON);
535 command.append(NO_ALTLOCS);
537 if (selectioncom.length() > 0)
541 System.out.println("Select regions:\n" + selectioncom.toString());
542 System.out.println("Superimpose command(s):\n"
543 + command.toString());
545 allComs.append("~display all; chain @CA|P; ribbon ")
546 .append(selectioncom.toString())
547 .append(";" + command.toString());
550 if (selectioncom.length() > 0)
552 // TODO: visually distinguish regions that were superposed
553 if (selectioncom.substring(selectioncom.length() - 1).equals("|"))
555 selectioncom.setLength(selectioncom.length() - 1);
559 System.out.println("Select regions:\n" + selectioncom.toString());
561 allComs.append("; ~display all; chain @CA|P; ribbon ")
562 .append(selectioncom.toString()).append("; focus");
563 sendChimeraCommand(allComs.toString(), false);
569 * Helper method to construct model spec in Chimera format:
571 * <li>#0 (#1 etc) for a PDB file with no sub-models</li>
572 * <li>#0.1 (#1.1 etc) for a PDB file with sub-models</li>
574 * Note for now we only ever choose the first of multiple models. This
575 * corresponds to the hard-coded Jmol equivalent (compare {1.1}). Refactor in
576 * future if there is a need to select specific sub-models.
581 protected String getModelSpec(int pdbfnum)
583 if (pdbfnum < 0 || pdbfnum >= getPdbCount())
589 * For now, the test for having sub-models is whether multiple Chimera
590 * models are mapped for the PDB file; the models are returned as a response
591 * to the Chimera command 'list models type molecule', see
592 * ChimeraManager.getModelList().
594 List<ChimeraModel> maps = chimeraMaps.get(getPdbFile()[pdbfnum]);
595 boolean hasSubModels = maps != null && maps.size() > 1;
596 return "#" + String.valueOf(pdbfnum) + (hasSubModels ? ".1" : "");
600 * Launch Chimera, unless an instance linked to this object is already
601 * running. Returns true if Chimera is successfully launched, or already
602 * running, else false.
606 public boolean launchChimera()
608 if (viewer.isChimeraLaunched())
613 boolean launched = viewer.launchChimera(StructureManager
617 startChimeraProcessMonitor();
621 log("Failed to launch Chimera!");
627 * Answers true if the Chimera process is still running, false if ended or not
632 public boolean isChimeraRunning()
634 return viewer.isChimeraLaunched();
638 * Send a command to Chimera, and optionally log any responses.
643 public void sendChimeraCommand(final String command, boolean logResponse)
647 // ? thread running after viewer shut down
650 viewerCommandHistory(false);
651 if (lastCommand == null || !lastCommand.equals(command))
653 // trim command or it may never find a match in the replyLog!!
654 List<String> lastReply = viewer.sendChimeraCommand(command.trim(),
656 if (logResponse && debug)
658 log("Response from command ('" + command + "') was:\n" + lastReply);
661 viewerCommandHistory(true);
662 lastCommand = command;
666 * Send a Chimera command asynchronously in a new thread. If the progress
667 * message is not null, display this message while the command is executing.
672 protected abstract void sendAsynchronousCommand(String command,
676 * colour any structures associated with sequences in the given alignment
677 * using the getFeatureRenderer() and getSequenceRenderer() renderers but only
678 * if colourBySequence is enabled.
680 public void colourBySequence(boolean showFeatures,
681 jalview.api.AlignmentViewPanel alignmentv)
683 if (!colourBySequence || !loadingFinished)
687 if (getSsm() == null)
691 String[] files = getPdbFile();
693 SequenceRenderer sr = getSequenceRenderer(alignmentv);
695 FeatureRenderer fr = null;
698 fr = getFeatureRenderer(alignmentv);
700 AlignmentI alignment = alignmentv.getAlignment();
702 for (jalview.structure.StructureMappingcommandSet cpdbbyseq : getColourBySequenceCommands(
703 files, sr, fr, alignment))
705 for (String command : cpdbbyseq.commands)
707 sendAsynchronousCommand(command, COLOURING_CHIMERA);
719 protected StructureMappingcommandSet[] getColourBySequenceCommands(
720 String[] files, SequenceRenderer sr, FeatureRenderer fr,
721 AlignmentI alignment)
723 return ChimeraCommands.getColourBySequenceCommand(getSsm(), files,
724 getSequence(), sr, fr, alignment);
730 protected void executeWhenReady(String command)
733 sendChimeraCommand(command, false);
737 private void waitForChimera()
739 while (viewer != null && viewer.isBusy())
744 } catch (InterruptedException q)
750 // End StructureListener
751 // //////////////////////////
754 * returns the current featureRenderer that should be used to colour the
761 public abstract FeatureRenderer getFeatureRenderer(
762 AlignmentViewPanel alignment);
765 * instruct the Jalview binding to update the pdbentries vector if necessary
766 * prior to matching the viewer's contents to the list of structure files
767 * Jalview knows about.
769 public abstract void refreshPdbEntries();
771 private int getModelNum(String modelFileName)
773 String[] mfn = getPdbFile();
778 for (int i = 0; i < mfn.length; i++)
780 if (mfn[i].equalsIgnoreCase(modelFileName))
789 * map between index of model filename returned from getPdbFile and the first
790 * index of models from this file in the viewer. Note - this is not trimmed -
791 * use getPdbFile to get number of unique models.
793 private int _modelFileNameMap[];
795 // ////////////////////////////////
796 // /StructureListener
798 public synchronized String[] getPdbFile()
802 return new String[0];
804 // if (modelFileNames == null)
806 // Collection<ChimeraModel> chimodels = viewer.getChimeraModels();
807 // _modelFileNameMap = new int[chimodels.size()];
809 // for (ChimeraModel chimodel : chimodels)
811 // String mdlName = chimodel.getModelName();
813 // modelFileNames = new String[j];
814 // // System.arraycopy(mset, 0, modelFileNames, 0, j);
817 return chimeraMaps.keySet().toArray(
818 modelFileNames = new String[chimeraMaps.size()]);
822 * returns the current sequenceRenderer that should be used to colour the
829 public abstract SequenceRenderer getSequenceRenderer(
830 AlignmentViewPanel alignment);
833 * Construct and send a command to highlight zero, one or more atoms. We do
834 * this by sending an "rlabel" command to show the residue label at that
838 public void highlightAtoms(List<AtomSpec> atoms)
840 if (atoms == null || atoms.size() == 0)
845 StringBuilder cmd = new StringBuilder(128);
846 boolean first = true;
847 boolean found = false;
849 for (AtomSpec atom : atoms)
851 int pdbResNum = atom.getPdbResNum();
852 String chain = atom.getChain();
853 String pdbfile = atom.getPdbFile();
854 List<ChimeraModel> cms = chimeraMaps.get(pdbfile);
855 if (cms != null && !cms.isEmpty())
859 cmd.append("rlabel #").append(cms.get(0).getModelNumber())
867 cmd.append(pdbResNum);
868 if (!chain.equals(" "))
870 cmd.append(".").append(chain);
875 String command = cmd.toString();
878 * avoid repeated commands for the same residue
880 if (command.equals(lastHighlightCommand))
886 * unshow the label for the previous residue
888 if (lastHighlightCommand != null)
890 viewer.sendChimeraCommand("~" + lastHighlightCommand, false);
894 viewer.sendChimeraCommand(command, false);
896 this.lastHighlightCommand = command;
900 * Query Chimera for its current selection, and highlight it on the alignment
902 public void highlightChimeraSelection()
905 * Ask Chimera for its current selection
907 List<String> selection = viewer.getSelectedResidueSpecs();
910 * Parse model number, residue and chain for each selected position,
911 * formatted as #0:123.A or #1.2:87.B (#model.submodel:residue.chain)
913 List<AtomSpec> atomSpecs = new ArrayList<AtomSpec>();
914 for (String atomSpec : selection)
916 int colonPos = atomSpec.indexOf(":");
919 continue; // malformed
922 int hashPos = atomSpec.indexOf("#");
923 String modelSubmodel = atomSpec.substring(hashPos + 1, colonPos);
924 int dotPos = modelSubmodel.indexOf(".");
928 modelId = Integer.valueOf(dotPos == -1 ? modelSubmodel
929 : modelSubmodel.substring(0, dotPos));
930 } catch (NumberFormatException e)
932 // ignore, default to model 0
935 String residueChain = atomSpec.substring(colonPos + 1);
936 dotPos = residueChain.indexOf(".");
937 int pdbResNum = Integer.parseInt(dotPos == -1 ? residueChain
938 : residueChain.substring(0, dotPos));
940 String chainId = dotPos == -1 ? "" : residueChain
941 .substring(dotPos + 1);
944 * Work out the pdbfilename from the model number
946 String pdbfilename = modelFileNames[frameNo];
947 findfileloop: for (String pdbfile : this.chimeraMaps.keySet())
949 for (ChimeraModel cm : chimeraMaps.get(pdbfile))
951 if (cm.getModelNumber() == modelId)
953 pdbfilename = pdbfile;
958 atomSpecs.add(new AtomSpec(pdbfilename, chainId, pdbResNum, 0));
962 * Broadcast the selection (which may be empty, if the user just cleared all
965 getSsm().mouseOverStructure(atomSpecs);
968 private void log(String message)
970 System.err.println("## Chimera log: " + message);
973 private void viewerCommandHistory(boolean enable)
975 // log("(Not yet implemented) History "
976 // + ((debug || enable) ? "on" : "off"));
979 public long getLoadNotifiesHandled()
981 return loadNotifiesHandled;
984 public void setJalviewColourScheme(ColourSchemeI cs)
986 colourBySequence = false;
993 // Chimera expects RBG values in the range 0-1
994 final double normalise = 255D;
995 viewerCommandHistory(false);
996 StringBuilder command = new StringBuilder(128);
998 List<String> residueSet = ResidueProperties.getResidues(isNucleotide(),
1000 for (String res : residueSet)
1002 Color col = cs.findColour(res.charAt(0));
1003 command.append("color " + col.getRed() / normalise + ","
1004 + col.getGreen() / normalise + "," + col.getBlue()
1005 / normalise + " ::" + res + ";");
1008 sendAsynchronousCommand(command.toString(), COLOURING_CHIMERA);
1009 viewerCommandHistory(true);
1013 * called when the binding thinks the UI needs to be refreshed after a Chimera
1014 * state change. this could be because structures were loaded, or because an
1015 * error has occurred.
1017 public abstract void refreshGUI();
1020 public void setLoadingFromArchive(boolean loadingFromArchive)
1022 this.loadingFromArchive = loadingFromArchive;
1027 * @return true if Chimeral is still restoring state or loading is still going
1028 * on (see setFinsihedLoadingFromArchive)
1031 public boolean isLoadingFromArchive()
1033 return loadingFromArchive && !loadingFinished;
1037 * modify flag which controls if sequence colouring events are honoured by the
1038 * binding. Should be true for normal operation
1040 * @param finishedLoading
1043 public void setFinishedLoadingFromArchive(boolean finishedLoading)
1045 loadingFinished = finishedLoading;
1049 * Send the Chimera 'background solid <color>" command.
1052 * ://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/background
1056 public void setBackgroundColour(Color col)
1058 viewerCommandHistory(false);
1059 double normalise = 255D;
1060 final String command = "background solid " + col.getRed() / normalise
1061 + "," + col.getGreen() / normalise + "," + col.getBlue()
1063 viewer.sendChimeraCommand(command, false);
1064 viewerCommandHistory(true);
1068 * Ask Chimera to save its session to the given file. Returns true if
1069 * successful, else false.
1074 public boolean saveSession(String filepath)
1076 if (isChimeraRunning())
1078 List<String> reply = viewer.sendChimeraCommand("save " + filepath,
1080 if (reply.contains("Session written"))
1087 .error("Error saving Chimera session: " + reply.toString());
1094 * Ask Chimera to open a session file. Returns true if successful, else false.
1095 * The filename must have a .py extension for this command to work.
1100 public boolean openSession(String filepath)
1102 sendChimeraCommand("open " + filepath, true);
1103 // todo: test for failure - how?
1108 * Returns a list of chains mapped in this viewer. Note this list is not
1109 * currently scoped per structure.
1113 public List<String> getChainNames()
1115 List<String> names = new ArrayList<String>();
1116 String[][] allNames = getChains();
1117 if (allNames != null)
1119 for (String[] chainsForPdb : allNames)
1121 if (chainsForPdb != null)
1123 for (String chain : chainsForPdb)
1125 if (chain != null && !names.contains(chain))
1137 * Send a 'focus' command to Chimera to recentre the visible display
1139 public void focusView()
1141 sendChimeraCommand("focus", false);
1145 * Send a 'show' command for all atoms in the currently selected columns
1147 * TODO: pull up to abstract structure viewer interface
1151 public void highlightSelection(AlignmentViewPanel vp)
1153 List<Integer> cols = vp.getAlignViewport().getColumnSelection()
1155 AlignmentI alignment = vp.getAlignment();
1156 StructureSelectionManager sm = getSsm();
1157 for (SequenceI seq : alignment.getSequences())
1160 * convert selected columns into sequence positions
1162 int[] positions = new int[cols.size()];
1164 for (Integer col : cols)
1166 positions[i++] = seq.findPosition(col);
1168 sm.highlightStructure(this, seq, positions);