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Merge branch 'master' of github.com:biojava/biojava
* 'master' of github.com:biojava/biojava: (211 commits) TestSuperPosition now tests rmsd of non-centered points. Documentation and minor fix Redo the PR #576 re-use code into a method Fix bug in centroid calculation SuperPositionSVD #588 Simple integration test for superposition methods More complete test Inserts space when altLoc is null, so that the rest of fields are properly aligned. FileConvert fix - added empty space if altLoc is null. Fixing hard biounits test. Small fix in Chain docs. Cleanup whitespace Solving a compilation problem, making Grid usable for Point3d #545 Some more work towards #545, some cleanup Issue #582 and some more work towards #545 Add constructors for the MMTFFilereader Added caching functionality for MMTF Address jose comment on #558 Also get short name when getting other protein aliases Fix bug with dihedral axis calculation #558 Fix bug in superposeAndTransform method SuperPositions Remove tests that require String comparisons with floats ...
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.travis.yml

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@@ -2,4 +2,5 @@ language: java
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jdk:
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- oraclejdk8
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sudo: false
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#after_success:
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# - mvn clean cobertura:cobertura coveralls:report

biojava-aa-prop/src/test/resources/log4j2.xml

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</Console>
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</appenders>
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<loggers>
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<root level="info">
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<root level="warn">
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<appender-ref ref="Console"/>
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</root>
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</loggers>

biojava-alignment/pom.xml

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<groupId>org.apache.logging.log4j</groupId>
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<artifactId>log4j-core</artifactId>
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</dependency>
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<dependency>
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<groupId>org.biojava</groupId>
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<artifactId>biojava-phylo</artifactId>
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<version>5.0.0-SNAPSHOT</version>
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</dependency>
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</dependencies>
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</project>

biojava-phylo/src/main/java/demo/DemoDistanceTree.java renamed to biojava-alignment/src/main/java/demo/DemoDistanceTree.java

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biojava-phylo/src/main/java/org/biojava/nbio/phylo/Comparison.java renamed to biojava-alignment/src/main/java/org/biojava/nbio/phylo/Comparison.java

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biojava-phylo/src/main/java/org/biojava/nbio/phylo/DistanceMatrixCalculator.java renamed to biojava-alignment/src/main/java/org/biojava/nbio/phylo/DistanceMatrixCalculator.java

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@@ -391,7 +391,7 @@ public static <C extends Sequence<D>, D extends Compound> DistanceMatrix pamMLdi
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// Need to import PAM1 matrix to biojava TODO
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//SubstitutionMatrix<AminoAcidCompound> PAM1 = SubstitutionMatrixHelper.getPAM250();
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return null;
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throw new IllegalStateException("PAM ML distance calculation not implemented!");
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}
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/**
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return DM;
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}
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/**
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* The joint sequence-structure distance (d<sub>SS</sub>) is a combination
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* of the sequence-based and the structure-based distances.
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*
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* @param rmsdMat
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* RMSD matrix for all structure pairs (symmetric matrix)
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* @return DistanceMatrix
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*/
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public static <C extends Sequence<D>, D extends Compound> DistanceMatrix jointSeqStrucDistance(
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double[][] rmsdMat) {
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// TODO
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return null;
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}
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}

biojava-phylo/src/main/java/org/biojava/nbio/phylo/DistanceTreeEvaluator.java renamed to biojava-alignment/src/main/java/org/biojava/nbio/phylo/DistanceTreeEvaluator.java

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biojava-phylo/src/main/java/org/biojava/nbio/phylo/ForesterWrapper.java renamed to biojava-alignment/src/main/java/org/biojava/nbio/phylo/ForesterWrapper.java

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biojava-phylo/src/main/java/org/biojava/nbio/phylo/TreeConstructor.java renamed to biojava-alignment/src/main/java/org/biojava/nbio/phylo/TreeConstructor.java

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biojava-phylo/src/main/java/org/biojava/nbio/phylo/TreeConstructorType.java renamed to biojava-alignment/src/main/java/org/biojava/nbio/phylo/TreeConstructorType.java

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