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History for
biojava
biojava-structure
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biojava-5.4.0
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Commits on Jun 29, 2020
[maven-release-plugin] prepare release biojava-5.4.0
josemduarte
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9dcddeb
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Merge pull request #878 from valasatava/master
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Commits on Jun 28, 2020
Upgrading to newest java-8 compatible ciftools
josemduarte
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Commits on Jun 27, 2020
Merge branch 'master' of github.com:biojava/biojava
valasatava
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e75eae5
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throw exception if residue type cannot be resolved
valasatava
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222a8ae
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case insensitive comparison of chem comp type
valasatava
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4d1b305
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Commits on Jun 13, 2020
refactor code to java 8 streams
balaji-s
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91f4ad2
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Commits on Jun 7, 2020
Now possible to compare interfaces coming from different copies of same structure
josemduarte
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afd98d4
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Commits on May 18, 2020
Fix compilation bug in ZipChemCompProvider
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sbliven
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8db52cb
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Commits on Apr 18, 2020
Merge pull request #868 from josemduarte/mmcif-branched-polymers
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Commits on Apr 13, 2020
Now considering branched entities as non-polymeric. Ends up in a more consistent state. Can be mmtf-encoded.
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Now biojava can parse mmcif files with carbohydrates, though it ignores the carbohydrate chains
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41c36ae
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Commits on Jan 25, 2020
Merge branch 'master' into interface-finder
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Cleanup
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Merge pull request #859 from josemduarte/optimise-sym-mates-clusterer
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091136e
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Fixes
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e70f0ef
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Docs
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d4dc323
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With bounding box optimization
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496daf0
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Initial implementation and tests
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3747377
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Commits on Jan 22, 2020
Docs, a new StructureTools method and a new performance test (ignored)
josemduarte
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ed322e3
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Small optimization
josemduarte
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f54b625
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More checks and a warning in case no aligned atoms found. Also a few minor fixes
josemduarte
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d851f60
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Some improvements
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8b76e96
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Commits on Jan 21, 2020
Fixing the cluster by entity id alignment issue. Now tests pass
josemduarte
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fc543af
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Now testing for subunit clustering with entity ids
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4d6a504
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Right order of params
josemduarte
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679f840
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New test
josemduarte
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d415e3c
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Commits on Jan 20, 2020
Extracting method in test
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6ac8877
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Commits on Jan 12, 2020
Merge pull request #857 from josemduarte/optimise-sym-mates-clusterer
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5840f24
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Increasing the default num cells to explore in crystal reconstruction
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ae2c3bd
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Commits on Jan 7, 2020
Using mergeIdentical breaks a test, reverting
josemduarte
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3b967b0
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Reverted change that caused TestQsAlignExamples to fail
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47e4cfb
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Commits on Jan 5, 2020
Introduced optimization: now if switch is provided subunit clustering uses entity id infor.
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josemduarte
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f3515a7
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Commits on Dec 27, 2019
Extracting duplicate code to a method. Some cleanups
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568a8d4
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Commits on Dec 12, 2019
Logging, cleanups, cosmetics
josemduarte
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45f1d70
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