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2020_03_6 (Q1 2020) Release
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@greglandrum greglandrum released this 20 Sep 15:48
Release_2020_03_6
f76ab6a

Release_2020.03.6

(Changes relative to Release_2020.03.5)

Acknowledgements:

Brian Kelley, Kenneth Lum, Paolo Tosco

Bug Fixes:

  • unspecified branch bonds in SMARTS don't have aromaticity set
    (github #3342 from greglandrum)
  • Converting atoms with high radical counts to InChI generates incorrect results
    (github #3365 from greglandrum)
  • Replace fill-opacity= with fill-opacity: in MolDraw2DSVG and tests
    (github #3368 from lummyk)
  • Fixes a bug in AddHs() involving sp2 centers with degree 1
    (github #3383 from ptosco)
  • Information about charges and isotopes lost when calling AdjustQueryProperties
    (github #3388 from greglandrum)
  • prepareMolForDrawing() incorrectly adds chiral Hs if no ring info is present
    (github #3392 from greglandrum)
  • CXSMILES parser should not set atom maps for attachment points
    (github #3393 from greglandrum)
  • Doing a match of a recursive smarts leaves traces of the previous match
    (github #3403 from bp-kelley)
  • Recursive smarts cannot be used in the core for rgroup decomposition
    (github #3404 from bp-kelley)
  • V3K mol blocks with no atoms fail to parse
    (github #3413 from greglandrum)
  • Problem parsing SGroup data containing ""
    (github #3415 from greglandrum)
Assets 2