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Merge pull request #757 from josemduarte/changelogforv5
A changelog draft for the 5.0.0 release
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CHANGELOG.md

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BioJava 5.0.0
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=============
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unreleased. Notes are WIP
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This release contains [1,170 commits](https://github.com/biojava/biojava/compare/biojava-4.2.11...biojava-5.0.0) from 19 contributors.
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Requires Java 8 or newer.
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### New features
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#### biojava-alignment
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* New utlity methods for sequence alignment objects (gap, similarity and coverage).
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#### biojava-structure
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* The data structures to represent 3D macromolecules now follow the mmCIF data model.
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* [MMTF format](http://mmtf.rcsb.org/) support.
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* Symmetry detection algorithms overhaul: better symmetry detection for tertiary and quaternary structure levels.
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* New method and data structures for the clustering of protein subunits at the sequence and structure levels.
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* New method to align biological assemblies, see `org.biojava.nbio.structure.align.quaternary.QsAlign`.
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* New algorithms for base-pair geometry in nucleic acids.
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* New SuperPosition interface for different 3D-structure superposition algorithms, see `org.biojava.nbio.structure.geometry.SuperPosition`.
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* Geometry-related API now more consistently based on vecmath interfaces.
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### Changed
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* For short structure selections (e.g. 1abc.A:1-100), ligands within 5A will be included
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* Symmetry expansion for bioassembly creation is now by default happening via adding new chains instead of new models.
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* Make objects serializable for compatibility with big data frameworks (e.g. Spark).
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### Breaking API changes
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* module biojava-phylo merged into biojava-alignment. The package namespace stays the same (`org.biojava.nbio.phylo`).
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* module biojava-sequencing merged into biojava-genome. Package `org.biojava.nbio.sequencing.io.fastq` is now `org.biojava.nbio.genome.io.fastq`
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* `org.biojava.nbio.structure.Compound` -> `org.biojava.nbio.structure.EntityInfo`
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* `org.biojava.nbio.structure.io.util.FileDownloadUtils` -> `org.biojava.nbio.core.util.FileDownloadUtils`
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* `org.biojava.nbio.structure.symmetry.core.AxisAligner` -> `org.biojava.nbio.structure.symmetry.axis.AxisAligner`
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* `org.biojava.nbio.structure.symmetry.core.Subunits` -> refactored into several classes in `org.biojava.nbio.structure.cluster`: Subunit, SubunitCluster, SubunitClusterer
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* `org.biojava.nbio.structure.align.helper.AlignTools` -> `org.biojava.nbio.structure.align.helper.AlignUtils`
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* All deprecations introduced in 4.0.0 or before were removed.
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Breaking API changes
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* org.biojava.nbio.structure.Compound -> org.biojava.nbio.structure.EntityInfo
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* org.biojava.nbio.structure.io.util.FileDownloadUtils -> org.biojava.nbio.core.util.FileDownloadUtils
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* org.biojava.nbio.structure.symmetry.core.AxisAligner -> org.biojava.nbio.structure.symmetry.axis.AxisAligner
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* org.biojava.nbio.structure.symmetry.core.Subunits -> refactored into serveral classes in org.biojava.nbio.structure.cluster: Subunit, SubunitCluster, SubunitClusterer
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### General
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* Javadocs improvements across the board.
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* All tests are now Junit4.
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* Updated dependency versions (guava, slf4j, and log4j).
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### Bug fixes
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A very long list.
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BioJava 4.2.11
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==============
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This release contains over [750](https://github.com/biojava/biojava/compare/6f8d796fee92edbbcd001c33cdae4f15c5480741...biojava-4.2.0) commits from 16 contributors.
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### New Features
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BioJava 4.2.0 offers many new features, as well several bug-fixes.
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General
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- Requires Java 7
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- Better logging with SLF4J
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Biojava-Core
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### New Features
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#### biojava-core
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- New SearchIO framework including blast xml parser
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Biojava-structure
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#### biojava-structure
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- Secondary structure assignment (DSSP compatible)
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- Multiple Structure Alignments
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- New MultipleStructureAlignment datastructure supporting flexible and order-independent alignments
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- MultipleMC algorithm
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- Can use any pairwise StructureAlignment implementation
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- Can use any pairwise StructureAlignment implementation
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- serialize and parse multiple structure alignments as XML files, output as Text, FatCat, FASTA, Rotation Matrices, etc.
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- More complete mmCIF and cif parsing
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- Parse bonds, sites, charges
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- Improved chemical component framework, now by default providing full chemical description by using DownloadChemCompProvider
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- Optimised memory usage of Residue/Atoms
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Biojava-structure-gui
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#### biojava-structure-gui
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- MultipleAlignmentGUI for visualizing Multiple Structure Alignments with Jmol
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- SymmetryDisplay for visualizing internal symmetry
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Biojava-Phylo
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#### biojava-phylo
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- Use Forester 1.038
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- Use `Forester 1.038`
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- Significant bug fixes
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- use SubstitutionMatrices in the core module (instead of imported Jalview matrices),
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- use Sequence and Compound classes from the alignment module
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- provide some Wrapper methods to communicate with forester,
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- decouple distance matrix calculation from tree constructor,
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- provide methods for common distance matrix calculations and framework for user-defined distances,
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- use `SubstitutionMatrices` in the core module (instead of imported Jalview matrices)
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- use `Sequence` and `Compound` classes from the alignment module
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- provide some Wrapper methods to communicate with forester
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- decouple distance matrix calculation from tree constructor
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- provide methods for common distance matrix calculations and framework for user-defined distances
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- update the forester version to have the correct NJ tree constructor
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AND
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- correct some of the tree evaluator statistics.

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