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Commits on Sep 1, 2016

• Move long tests to the intergationtest package

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  lafita

  committed
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Commits on Aug 30, 2016

• Small fix TestQsAlign

  lafita

  committed
  72c6768

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• Small change to SuperpositionQCP test

  lafita

  committed
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• Merge branch 'master' into quatalign

  lafita

  committed
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Commits on Aug 23, 2016

• Merge pull request #555 from andreasprlic/master

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  sbliven

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Commits on Aug 21, 2016

• TestMMcifOrganismParsing: Using enum rather than String for comparison.

  andviane

  committed
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Commits on Aug 18, 2016

• making output less verbose

  andreasprlic

  committed
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• making output less verbose

  andreasprlic

  committed
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• setting default log level to warn

  andreasprlic

  committed
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• making output less verbose

  andreasprlic

  committed
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Commits on Aug 16, 2016

• Fixed the logic of working out which type of group a group is.

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  abradle

  committed
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• Fixed the formatting and added some javadocs

  abradle

  committed
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Commits on Aug 15, 2016

• Fixed a bug in generation of disulphide bonds - including a test case.

  abradle

  committed
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Commits on Aug 9, 2016

• Fixed bug where bonds from struct conn records were not made for multiple models.

  abradle

  committed
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Commits on Aug 8, 2016

• Small fix for the last commit

  lafita

  committed
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• Document, test and fix relative orientation method

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  lafita

  committed
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Commits on Aug 5, 2016

• update to new similarity calculation

  andreasprlic

  committed
  df70539

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• Small fix to QuatSymmetry test

  lafita

  committed
  56f2683

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• Introduce comparison by RMSD and orientation angle in QsAlign

  lafita

  committed
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Commits on Aug 4, 2016

• Merge branch 'quaternion' into quatalign

  lafita

  committed
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• Test that the quaternion orientation metric is incremental

  lafita

  committed
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• Improve test for unit quaternions

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  lafita

  committed
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• Merge branch 'quaternion' into quatalign

  lafita

  committed
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• Test superposition performance for different point set sizes

  lafita

  committed
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• Adapt SVDSuperimposer to accept Point3d arrays as input

  lafita

  committed
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Commits on Aug 3, 2016

• Add test for symmetry point set in rmsd QCP calculation

  lafita

  committed
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• Merge branch 'quaternion' into quatalign

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  lafita

  committed
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• Fix bug in SuperPositionQCP algorithm (precision)

  lafita

  committed
  98cd1e5

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• Document SuperPosition and introduce translation in test

  lafita

  committed
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Commits on Aug 2, 2016

• Create CalcPoint Class to hold general methods with Point3d #545

  lafita

  committed
  e6eac12

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• Finish tests for Quaternion metrics and Superposition

  lafita

  committed
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Commits on Jul 29, 2016

• Create Test to check the superposition algorithms

  lafita

  committed
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• Add a Unit Test for the Quaternions functions

  lafita

  committed
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• Merge branch 'master' into quatalign

  lafita

  committed
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Commits on Jul 28, 2016

• Merge branch 'master' into quatalign

  lafita

  committed
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