* 'color' commands (one per distinct colour used). The format of each command
* is
*
+ * <pre>
* <blockquote> color colorname #modelnumber:range.chain e.g. color #00ff00
* #0:2.B,4.B,9-12.B|#1:1.A,2-6.A,...
- *
- * @see http
- * ://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/frameatom_spec
- * .html </pre>
+ * </blockquote>
+ * </pre>
*
* @param colourMap
* @return
+ * @see http
+ * ://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/frameatom_spec
+ * .html
*/
protected static List<String> buildColourCommands(
Map<Color, Map<Integer, Map<String, List<int[]>>>> colourMap)
import jalview.datamodel.AlignmentI;
import jalview.datamodel.ColumnSelection;
import jalview.datamodel.PDBEntry;
+import jalview.datamodel.SequenceFeature;
import jalview.datamodel.SequenceI;
import jalview.httpserver.AbstractRequestHandler;
import jalview.schemes.ColourSchemeI;
import jalview.schemes.ResidueProperties;
import jalview.structure.AtomSpec;
+import jalview.structure.StructureMapping;
import jalview.structure.StructureMappingcommandSet;
import jalview.structure.StructureSelectionManager;
import jalview.structures.models.AAStructureBindingModel;
+import jalview.util.Comparison;
import jalview.util.MessageManager;
import java.awt.Color;
sm.highlightStructure(this, seq, positions);
}
}
+
+ /**
+ * Constructs and send commands to Chimera to set attributes on residues for
+ * features visible in Jalview
+ *
+ * @param avp
+ */
+ public void sendFeaturesToChimera(AlignmentViewPanel avp)
+ {
+ // TODO send a command per feature with the range of residues it applies to
+ AlignmentI alignment = avp.getAlignment();
+ FeatureRenderer fr = getFeatureRenderer(avp);
+
+ /*
+ * fr is null if feature display is turned off
+ */
+ if (fr == null)
+ {
+ return;
+ }
+
+ String[] files = getPdbFile();
+ if (files == null)
+ {
+ return;
+ }
+ for (int pdbfnum = 0; pdbfnum < files.length; pdbfnum++)
+ {
+ StructureMapping[] mapping = getSsm().getMapping(files[pdbfnum]);
+
+ if (mapping == null || mapping.length < 1)
+ {
+ continue;
+ }
+
+ int lastPos = -1;
+ for (int seqNo = 0; seqNo < getSequence()[pdbfnum].length; seqNo++)
+ {
+ for (int m = 0; m < mapping.length; m++)
+ {
+ final SequenceI seq = getSequence()[pdbfnum][seqNo];
+ int sp = alignment.findIndex(seq);
+ if (mapping[m].getSequence() == seq && sp > -1)
+ {
+ SequenceI asp = alignment.getSequenceAt(sp);
+ for (int r = 0; r < asp.getLength(); r++)
+ {
+ // no mapping to gaps in sequence
+ if (Comparison.isGap(asp.getCharAt(r)))
+ {
+ continue;
+ }
+ int residuePos = asp.findPosition(r);
+ int pos = mapping[m].getPDBResNum(residuePos);
+
+ if (pos < 1 || pos == lastPos)
+ {
+ continue;
+ }
+ final String chain = mapping[m].getChain();
+ List<SequenceFeature> features = fr.findFeaturesAtRes(asp,
+ residuePos);
+ for (SequenceFeature feature : features)
+ {
+ String desc = feature.getDescription();
+ float score = feature.getScore();
+ if (score != 0 && score != Float.NaN)
+ {
+ desc = Float.toString(score);
+ }
+ String attName = "jv:"
+ + feature.getType().replace(" ", "_");
+ String cmd = "setattr r " + attName + " \""
+ + desc + "\" #" + pdbfnum + ":" + pos + "." + chain;
+ System.out.println(cmd);
+ sendAsynchronousCommand(cmd, null);
+ }
+ }
+ }
+ }
+ }
+ }
+ }
}
// TODO Auto-generated method stub
}
});
+ JMenuItem writeFeatures = new JMenuItem(
+ MessageManager.getString("label.create_chimera_attributes"));
+ writeFeatures.setToolTipText(MessageManager
+ .getString("label.create_chimera_attributes_tip"));
+ writeFeatures.addActionListener(new ActionListener()
+ {
+ @Override
+ public void actionPerformed(ActionEvent e)
+ {
+ sendFeaturesToChimera();
+ }
+ });
+ viewerActionMenu.add(writeFeatures);
+ }
+
+ /**
+ * Send a command to Chimera to create residue attributes for Jalview features
+ * <p>
+ * The syntax is: setattr r <attName> <attValue> <atomSpec>
+ * <p>
+ * For example: setattr r jv:chain "Ferredoxin-1, Chloroplastic" #0:94.A
+ */
+ protected void sendFeaturesToChimera()
+ {
+ jmb.sendFeaturesToChimera(getAlignmentPanel());
}
/**
setChainMenuItems(jmb.getChainNames());
this.setTitle(jmb.getViewerTitle("Chimera", true));
- if (jmb.getPdbFile().length > 1 && jmb.getSequence().length > 1)
- {
+ // if (jmb.getPdbFile().length > 1 && jmb.getSequence().length > 1)
+ // {
viewerActionMenu.setVisible(true);
- }
+ // }
if (!jmb.isLoadingFromArchive())
{
seqColour_actionPerformed(null);
{
javax.swing.SwingUtilities.invokeLater(new Runnable()
{
+ @Override
public void run()
{
cvf.updateTitleAndMenus();
});
}
+ @Override
public void updateColours(Object source)
{
AlignmentPanel ap = (AlignmentPanel) source;
* Send an asynchronous command to Chimera, in a new thread, optionally with
* an 'in progress' message in a progress bar somewhere
*/
+ @Override
protected void sendAsynchronousCommand(final String command,
final String progressMsg)
{
@Override
public void run()
{
- long stm = cvf.startProgressBar(progressMsg);
+ long handle = 0;
+ if (progressMsg != null)
+ {
+ handle = cvf.startProgressBar(progressMsg);
+ }
try
{
sendChimeraCommand(command, false);
} finally
{
- cvf.stopProgressBar(null, stm);
+ if (progressMsg != null)
+ {
+ cvf.stopProgressBar(null, handle);
+ }
}
}
});