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Commits on Mar 5, 2021

• null check

  sbittrich

  committed
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• ChemComp#monNstdParentCompId now returns null instead of empty String (#921)

  sbittrich

  committed
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Commits on Mar 1, 2021

• Fix compilation issues.

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  sbliven

  committed
  55b6146

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Commits on Feb 12, 2021

• Revert "increase QCP precision threshold (try to fix #914)"

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  sbittrich

  committed
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Commits on Feb 10, 2021

• increase QCP precision threshold (try to fix #914)

  sbittrich

  committed
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Commits on Feb 4, 2021

• Merge remote-tracking branch 'upstream/master' into bcif-integration

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  sbittrich

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Commits on Feb 3, 2021

• update AtomCacheTest

  sbittrich

  committed
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Commits on Feb 1, 2021

• Group.java from upstream

  sbittrich

  committed
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Commits on Jan 28, 2021

• Use Vector3d for points, more docs

  josemduarte

  committed
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• Visibility

  josemduarte

  committed
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• Logging

  josemduarte

  committed
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• A scaling test (ignored)

  josemduarte

  committed
  8cfd1c2

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• Some reorg and docs

  josemduarte

  committed
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• Another optimisation from Eisenhaber 1994

  josemduarte

  committed
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Commits on Jan 27, 2021

• Small optimisation: avoid recalculating radii

  josemduarte

  committed
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• Further optimization: sort by distance. Achieves ~1/3 of runtime

  josemduarte

  committed
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• docs

  sbittrich

  committed
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• trigger build

  sbittrich

  committed
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• those aren't the FloatColumns you're looking for

  sbittrich

  committed
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Commits on Jan 26, 2021

• StructureInterface#toMMCIF

  sbittrich

  committed
  2d4cc74

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• bcif/models URL is a constant

  sbittrich

  committed
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• SCOP hack to force loading of MMTF

  sbittrich

  committed
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• handle missing rfree/rwork

  sbittrich

  committed
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• fix entity parsing

  sbittrich

  committed
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• chem comp parsing errors & missing crystal translation

  sbittrich

  committed
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• Merge remote-tracking branch 'upstream/master' into bcif-integration

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  sbittrich

  committed
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Commits on Jan 25, 2021

• fix chemcomp type

  sbittrich

  committed
  0c00cac

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• fix bcif download

  sbittrich

  committed
  e7f563d

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• new filetype param

  sbittrich

  committed
  61bd8e8

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• metal parsing

  sbittrich

  committed
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Commits on Jan 20, 2021

• compiling

  sbittrich

  committed
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Commits on Jan 14, 2021

• wip (TODO chemcomp parsing)

  sbittrich

  committed
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Commits on Jan 13, 2021

• wip (most of structure parsing done)

  sbittrich

  committed
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Commits on Dec 7, 2020

• Revert "Flaky Test Fixed in TestStructureSerialization"

  sbliven

  authored
  13565b1

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• Merge pull request #903 from Vidishab18/flaky_test_fixed

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  sbliven

  authored
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