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Change substitution matrix to SDM for symmetry phylogeny
1 parent 53b4e90 commit d9f3b0d

4 files changed

Lines changed: 15 additions & 10 deletions

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‎biojava-structure-gui/src/main/java/org/biojava/nbio/structure/align/gui/jmol/MultipleAlignmentJmol.java‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -414,12 +414,12 @@ public void actionPerformed(ActionEvent ae) {
414414
// Kimura, Structural and Fractional Dissimilarity Score
415415
Phylogeny kimura = MultipleAlignmentTools
416416
.getKimuraTree(multAln);
417-
Phylogeny hsdm = MultipleAlignmentTools
418-
.getHSDMTree(multAln);
417+
Phylogeny sdm = MultipleAlignmentTools
418+
.getSDMTree(multAln);
419419
// Phylogeny structural = MultipleAlignmentTools
420420
// .getStructuralTree(multAln);
421421

422-
Archaeopteryx.createApplication(new Phylogeny[] { kimura,hsdm });
422+
Archaeopteryx.createApplication(new Phylogeny[] { kimura, sdm });
423423
}
424424
} catch (Exception e) {
425425
logger.error("Could not complete display option.", e);

‎biojava-structure-gui/src/main/java/org/biojava/nbio/structure/symmetry/gui/SymmetryDisplay.java‎

Lines changed: 4 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -66,7 +66,9 @@ public static MultipleAlignmentJmol displayRepeats(CeSymmResult symm)
6666
throws StructureException {
6767

6868
MultipleAlignment repeats = SymmetryTools.toRepeatsAlignment(symm);
69-
return MultipleAlignmentJmolDisplay.display(repeats);
69+
MultipleAlignmentJmol jmol = MultipleAlignmentJmolDisplay.display(repeats);
70+
jmol.setTitle(getSymmTitle(symm));
71+
return jmol;
7072
}
7173

7274
/**
@@ -84,6 +86,7 @@ public static MultipleAlignmentJmol displayFull(CeSymmResult symm)
8486

8587
MultipleAlignmentJmol jmol = MultipleAlignmentJmolDisplay.display(full);
8688
jmol.setColorByBlocks(true);
89+
jmol.setTitle(getSymmTitle(symm));
8790

8891
return jmol;
8992
}

‎biojava-structure-gui/src/main/java/org/biojava/nbio/structure/symmetry/gui/SymmetryListener.java‎

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -26,6 +26,7 @@
2626
import org.biojava.nbio.structure.Atom;
2727
import org.biojava.nbio.structure.StructureTools;
2828
import org.biojava.nbio.structure.align.gui.StructureAlignmentDisplay;
29+
import org.biojava.nbio.structure.align.gui.jmol.AbstractAlignmentJmol;
2930
import org.biojava.nbio.structure.align.gui.jmol.MultipleAlignmentJmol;
3031
import org.biojava.nbio.structure.symmetry.internal.CeSymmResult;
3132
import org.slf4j.Logger;
@@ -74,8 +75,9 @@ public void actionPerformed(ActionEvent ae) {
7475

7576
} else if (cmd.equals("Optimal Self Alignment")) {
7677
Atom[] cloned = StructureTools.cloneAtomArray(symm.getAtoms());
77-
StructureAlignmentDisplay.display(symm.getSelfAlignment(),
78-
symm.getAtoms(), cloned);
78+
AbstractAlignmentJmol jmol = StructureAlignmentDisplay.display(
79+
symm.getSelfAlignment(), symm.getAtoms(), cloned);
80+
jmol.setTitle(jmol.getTitle() + " Optimal Self-Alignment");
7981

8082
} else if (cmd.equals("Show Symmetry Group")) {
8183
String script = SymmetryDisplay.printSymmetryGroup(symm);

‎biojava-structure/src/main/java/org/biojava/nbio/structure/align/multiple/util/MultipleAlignmentTools.java‎

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -867,7 +867,7 @@ public static Phylogeny getKimuraTree(MultipleAlignment msta)
867867

868868
/**
869869
* Calculate a phylogenetic tree of the MultipleAlignment using
870-
* dissimilarity scores (DS), based in HSDM Substitution Matrix (ideal for
870+
* dissimilarity scores (DS), based in SDM Substitution Matrix (ideal for
871871
* distantly related proteins, structure-derived) and the Neighbor Joining
872872
* algorithm from forester.
873873
*
@@ -877,15 +877,15 @@ public static Phylogeny getKimuraTree(MultipleAlignment msta)
877877
* @throws CompoundNotFoundException
878878
* @throws IOException
879879
*/
880-
public static Phylogeny getHSDMTree(MultipleAlignment msta)
880+
public static Phylogeny getSDMTree(MultipleAlignment msta)
881881
throws CompoundNotFoundException, IOException {
882882
MultipleSequenceAlignment<ProteinSequence, AminoAcidCompound> msa = MultipleAlignmentTools
883883
.toProteinMSA(msta);
884884
BasicSymmetricalDistanceMatrix distmat = (BasicSymmetricalDistanceMatrix) DistanceMatrixCalculator
885-
.dissimilarityScore(msa, SubstitutionMatrixHelper.getAminoAcidSubstitutionMatrix("PRLA000102"));
885+
.dissimilarityScore(msa, SubstitutionMatrixHelper.getAminoAcidSubstitutionMatrix("PRLA000101"));
886886
Phylogeny tree = TreeConstructor.distanceTree(distmat,
887887
TreeConstructorType.NJ);
888-
tree.setName("HSDM Tree");
888+
tree.setName("SDM Tree");
889889
return tree;
890890
}
891891

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