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@cheminfo-bot cheminfo-bot released this 31 Jul 13:56
v3.0.0
76d2b24
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Learn about vigilant mode.

3.0.0 (2023-07-31)

⚠ BREAKING CHANGES

  • add ensureHeterotopicChiralBonds and remove addDiastereotopicMissingChirality

Features

  • add ensureHeterotopicChiralBonds and remove addDiastereotopicMissingChirality (c846f5d)
  • add getHoseCodes, fast code to retrieve all the hose codes (dfef04e)
  • fast method to get the list of all the chiral or heterotopic carbons (45c3019)

Bug Fixes

  • add chirality bonds if H are present (0aae9fc)

Documentation

  • replace oclCode by idCode (b3e4b6e)
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