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2020_03_2 (Q1 2020) Release
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@greglandrum greglandrum released this 08 May 02:55
· 47 commits to Release_2020_03 since this release
Release_2020_03_2
388b403

Release_2020.03.2
(Changes relative to Release_2020.03.1)

Acknowledgements:

Ivan Chernyshov, David Cosgrove, Guillaume Godin, Eisuke Kawashima, Brian
Kelley, Joshua Meyers, Paolo Tosco, Maciej Wójcikowski, intrigus-lgtm

Bug Fixes:

  • cannot parse reaction SMILES/SMARTS with dative bonds
    (github #2954 from greglandrum)
  • ResonanceMolSupplier can fail with small maxStructs values
    (github #3041 from greglandrum)
  • seg fault in ResonanceMolSupplier()
    (github #3048 from greglandrum)
  • Bug in image rendering of dative bonds
    (github #3056 from IvanChernyshov)
  • Coordinates from coordgen are not centered around the origin
    (github #3058 from DavidACosgrove)
  • fix a typo in ScaffoldNetwork/CMakeLists.txt
    (github #3060 from greglandrum)
  • Bad double bond placement in polycyclic aromatics
    (github #3061 from DavidACosgrove)
  • Remove unnecessary files
    (github #3065 from e-kwsm)
  • SGroups with more than one attachment point are now properly parsed
    (github #3072 from greglandrum)
  • Reactions should not use strict implicit valence calculations
    (github #3097 from mwojcikowski)
  • partial reacting atom detection
    (github #3119 from thegodone)
  • DrawMolecules does not center molecules
    (github #3126 from JoshuaMeyers)
  • results from coordgen are sometimes not centered
    (github #3131 from greglandrum)
  • Memory leak when parsing bad SMILES
    (github #3139 from intrigus-lgtm)
Assets 2