Skip to content
Commits on Apr 24, 2016
  1. @johnmay

    Release 1.5.13.

    johnmay committed Apr 24, 2016
  2. @johnmay
Commits on Apr 21, 2016
  1. Merge pull request #201 from cdk/testFixes_20160418

    committed Apr 21, 2016
    Resolving failing unit test, hidx needs to check i,j (local index) no…
  2. Merge pull request #200 from cdk/patch/cxsmiles-read

    committed Apr 21, 2016
    Patch/cxsmiles read
Commits on Apr 18, 2016
  1. @johnmay
  2. @johnmay
  3. @johnmay
  4. @johnmay

    Make it possible to draw reaction conditions bellow the arrow of a re…

    johnmay committed Apr 18, 2016
    …action. We use a new property which is picked up during the depiction generation. Some minor tweaks were made to sizing calculations in particular ensuring -1 is not used which was accidentally making some spacing smaller then needed.
  5. @johnmay

    Read Data Sgroups.

    johnmay committed Apr 18, 2016
Commits on Apr 11, 2016
  1. @johnmay
  2. @johnmay
Commits on Mar 29, 2016
  1. @johnmay
  2. @johnmay
Commits on Mar 25, 2016
  1. @johnmay

    Safe null unbox.

    johnmay committed Mar 25, 2016
Commits on Mar 11, 2016
  1. Merge pull request #199 from cdk/legacy/deprecate-mdlreader

    committed Mar 11, 2016
    Deprecate MDLReader to avoid confusion. Supported. Ten years ago, these fails were still quite (relatively) common, but no longer.
  2. @johnmay
Commits on Feb 23, 2016
  1. @johnmay
  2. @johnmay

    Shuffle around where stereo assignment is done so it doesn't consider…

    johnmay committed Feb 23, 2016
    … any ionic bonds we temporarily add in..
  3. @johnmay
  4. @johnmay
Commits on Feb 22, 2016
  1. Merge pull request #198 from cdk/patch/mdlpartiy

    committed Feb 22, 2016
    Looks good to me, thanks!
  2. @johnmay
  3. @johnmay
  4. @johnmay

    Deprecate stereo parity property on atom. Existing code can continue …

    johnmay committed Feb 22, 2016
    …to use it but it is not the prefered method.
Commits on Feb 21, 2016
  1. @johnmay
  2. @johnmay
  3. @johnmay
Commits on Feb 20, 2016
  1. @johnmay
  2. @johnmay
Commits on Feb 16, 2016
  1. @johnmay

    Merge pull request #196 from tomas-pluskal/master

    johnmay committed Feb 16, 2016
    Patched a bug in IsotopePatternGenerator
  2. @tomas-pluskal
  3. @tomas-pluskal
Commits on Feb 13, 2016
  1. @johnmay
  2. @johnmay

    Improved generic label formatting, superscript numbers/primes and mak…

    johnmay committed with Feb 7, 2016
    …e labels italic. This allows clear distinction between the substituent list 'W' and 'Tungsten'.
  3. @johnmay

    Sulphur is a little too bright.

    johnmay committed with Feb 5, 2016
Something went wrong with that request. Please try again.