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Commits on Aug 30, 2017

• Merge pull request #58 from egonw/feature/calculateMajorIsotopeMass

  goglepox

  committedAug 30, 2017
  7ebdc4a

• Merge pull request #57 from egonw/patch/newerOPSIN

  goglepox

  committedAug 30, 2017
  7585ef8

Commits on Aug 29, 2017

• Added a method to calculate the major isotope mass

  egonw

  committedAug 29, 2017
  7106f45

Commits on Jul 9, 2017

• Fixed a implicit hydrogen issue, present since OPSIN 2.1, by using the OPSIN SMILES output which is quite feasible with CDK 2.0

  egonw

  committedJul 9, 2017
  ec012f6

• Added support for conversion to SMILES

  egonw

  committedJul 9, 2017
  3ed5901

• Updated OPSIN to 2.3

  egonw

  committedJul 9, 2017
  3e47a9e

Commits on Jun 13, 2017

• Merge pull request #56 from egonw/patch/cdk3paperupdate

  goglepox

  committedJun 13, 2017
  9ba648a

Commits on Jun 11, 2017

• Added the DOI for the most recent paper

  egonw

  committedJun 11, 2017
  ef84d15

Commits on Apr 8, 2017

• Create README.md

  egonw

  committedApr 8, 2017
  cc2ae2f

Commits on Feb 2, 2017

• Merge branch 'RC' into develop

  goglepox

  committedFeb 2, 2017
  eddc704

• Add new n.bc.cdk.jchempaint.rendering bundle

  goglepox

  committedFeb 2, 2017
  edb8a01

Commits on Feb 1, 2017

• Merge branch 'develop' into RC

  goglepox

  committedFeb 1, 2017
  0390300

• Update version to 2.7.0

  goglepox

  committedFeb 1, 2017
  e05ff03

Commits on Jan 25, 2017

• Fix dependency after merging of 2.6.2

  goglepox

  committedJan 25, 2017
  4a0e251

• Merge branch 'v2.6.2' into develop

  goglepox

  committedJan 25, 2017
  68c09be

• Release 2.6.2

  goglepox

  committedJan 25, 2017
  d99b7f3

• Fix for bug 3620 & bug 3621

  goglepox

  committedJan 25, 2017
  a2ef107

• Force the use of PubChemCompoundXMLFormat

  goglepox

  committedJan 25, 2017
  169348e

• Refactor out Renderer api to separate bundle

  goglepox

  committedJan 25, 2017
  0780338

• Copy properties instead of coordinates.

  goglepox

  committedJan 25, 2017
  3125c4c

• Check 2d coordinates with has2DCooridnates

  goglepox

  committedJan 25, 2017
  bcd5df6

• Make BoundVisitor methods public for reuse

  goglepox

  committedJan 25, 2017
  0ac64de

• Update code for scrolling

  goglepox

  committedJan 25, 2017
  76dd5be

• Make JCP editor listen for redraw events

  goglepox

  committedJan 25, 2017
  385736b

• Make JCP editor listen for events to redraw

  goglepox

  committedJan 25, 2017
  d322872

Commits on Nov 11, 2016

• Merge pull request #54 from egonw/fix/updatedPubChem

  goglepox

  committedNov 11, 2016
  7850fe3

Commits on Sep 23, 2016

• PubChem (like all of NCBI) is migrating to https only

  egonw

  committedSep 23, 2016
  16ae200

Commits on Sep 13, 2016

• Merge pull request #53 from egonw/fix/cdkTitleWhenSMILESparsing

  goglepox

  committedSep 13, 2016
  16c7a4f

• Work around for a feature/bug in CDK 1.5.13 (but not in master)

  egonw

  committedSep 13, 2016
  7ac0ef5

• Merge pull request #52 from egonw/fix/updatedTests2

  goglepox

  committedSep 13, 2016
  36a3691

• Now instance of CMLMoleculeList, not CMLList

  egonw

  committedSep 13, 2016
  db71144

• Merge pull request #51 from egonw/fix/updatedTests

  goglepox

  committedSep 13, 2016
  e7aacf9

• The MCSS does not ignore hydrogens, so the proper MCSS has hydrogens (ethyl group)

  egonw

  committedSep 13, 2016
  438ada4

• Match the test SMILES to use the same type of SMILES as the toSMILES() function does (the outputs were the same, as checked with CDKDepict, anyway

  egonw

  committedSep 13, 2016
  4a698d5

Commits on Sep 1, 2016

• Fix for bug 3620 & bug 3621

  goglepox

  committedSep 1, 2016
  8fddf1a

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