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Commits on Jan 12, 2017

• The fix to the insertion code issue to is use the ResidueNumber object as the hash key instead of a string made from the residue number. Fixes bug where structures with insertion codes were likely…

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  Matt Larson

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Commits on Dec 22, 2016

• Issue 330: fixes for PDB Parser,

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  Matt Larson

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Commits on Nov 23, 2016

• Adding non-standard sg check to pdb parser

  josemduarte

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• Fixed bug: NPE for CrystalBuilder on 4hhb. Moved TestCrystalBuilder to integrationtest.

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• Now using the new fields from CrystalBuilder

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Commits on Nov 22, 2016

• Some extra rare fields in atom_sites

  josemduarte

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• Fixing npe introduced in last commit

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• Implementing new crystallographic metadata fields.

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• Javadoc correction

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• Implementing parsing of atom_sites category in mmcif parser/consumer

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Commits on Nov 21, 2016

• Merge pull request #600 from sbliven/fix557

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  andreasprlic

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Commits on Nov 10, 2016

• Merge pull request #597 from sbliven/fix560

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• Allow partial residue ranges (#557)

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  sbliven

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Commits on Nov 7, 2016

• Update to biojava 5.0 ligand and chain model

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  sbliven

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Commits on Nov 2, 2016

• Moved addGroupToStructure methods to StructureTools

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  sbliven

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Commits on Oct 26, 2016

• Add some handling of "?" in seq align position. E.g. for 5dn6

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Commits on Oct 3, 2016

• Fix unit tests

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  sbliven

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• Ignore waters when calculating ligand proximity

  sbliven

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• Reducing DEFAULT_LIGAND_PROXIMITY_CUTOFF to 5A

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• Show ligands by proximity in CE-Symm

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• Add StructureTools.getLigandsByProximity

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• Include Ligands in residue selections that fall within 7A.

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  sbliven

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• Add model-specific iteration over Groups and Atoms

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Commits on Sep 19, 2016

• TestSuperPosition now tests rmsd of non-centered points.

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  josemduarte

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• Merge branch 'svdsuperimpIssue' into superpose

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• Documentation and minor fix

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• Redo the PR #576 re-use code into a method

  lafita

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• Fix bug in centroid calculation SuperPositionSVD #588

  lafita

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Commits on Sep 18, 2016

• Merge pull request #586 from josemduarte/fixBiounitTest

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• Merge pull request #584 from abradle/master

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• Merge branch 'master' into issue582

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• Merge remote-tracking branch 'upstream/master' into fixBiounitTest

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• More complete test

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Commits on Sep 17, 2016

• Merge pull request #587 from altaite/master

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Commits on Sep 15, 2016

• Inserts space when altLoc is null, so that the rest of fields are properly aligned.

  altaite

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