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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

  lafita

  committed
  cc79186

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• Fix bug in centroid calculation SuperPositionSVD #588

  lafita

  committed
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Commits on Sep 18, 2016

• Merge pull request #586 from josemduarte/fixBiounitTest

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  josemduarte

  authored
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• Merge branch 'master' into issue582

  josemduarte

  authored
  09e4165

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

  josemduarte

  committed
  d1bcb47

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• More complete test

  josemduarte

  committed
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Commits on Sep 15, 2016

• Fixing hard biounits test. Small fix in Chain docs.

  josemduarte

  committed
  e76de99

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• Merge branch 'master' into issue582

  josemduarte

  authored
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• Merge branch 'master' into testAtomCacheParsingFlags

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  andreasprlic

  committed
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• Merge pull request #573 from josemduarte/issue572

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  andreasprlic

  authored
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Commits on Sep 14, 2016

• Issue #582 and some more work towards #545

  josemduarte

  committed
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Commits on Sep 12, 2016

• Remove tests that require String comparisons with floats

  lafita

  committed
  addf167

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• Fix compilation errors from SuperPosition interface change #558

  lafita

  committed
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Commits on Sep 10, 2016

• fixing a bug with setting the file parsing type in AtomCache. (mmtf and mmcif flags were both always set to true)

  andreasprlic

  committed
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Commits on Sep 9, 2016

• Modifications from the SuperPosition changes w compile errors

  lafita

  committed
  523920e

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• Modify test for all SuperPosition algorithms #558

  lafita

  committed
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Commits on Sep 3, 2016

• Solving #572

  josemduarte

  committed
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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

  authored
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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
  56e81e6

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• making output less verbose

  andreasprlic

  committed
  8ba289d

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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
  8946b08

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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
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