Skip to content

2020_09_2 (Q3 2020) Release
Compare
Choose a tag to compare
@greglandrum greglandrum released this 24 Nov 06:58
· 42 commits to Release_2020_09 since this release
Release_2020_09_2
5547c00

Release_2020.09.2

(Changes relative to Release_2020.09.1)

Acknowledgements

David Cosgrove, Steven Kearnes, Dan Nealschneider, Dan Skatov, Jaime
Rodríguez-Guerra, Ricardo Rodriguez-Schmidt, Paolo Tosco, Kazuya Ujihara,
Riccardo Vianello, Shuzhe Wang, 'amateurcat', 'GintasKam'

Bug Fixes:

  • Problem with lifetime linkage of mols and conformers
    (github #3492 from amateurcat)
  • Traceback when pickling ROMol after BCUT descriptors are calculated
    (github #3511 from d-b-w)
  • Fix AUTOCORR2D descriptors
    (github #3512 from ricrogz)
  • SDMolSupplier requires several attempts to load a SDF file in Python 3.6/3.7
    (github #3517 from jaimergp)
  • Remove accidentally included boost header
    (github #3518 from ricrogz)
  • legend_height_ should be preserved after drawing the molecule
    (github #3520 from greglandrum)
  • remove the include directive for unused <access/tuptoaster.h> header
    (github #3525 from rvianello)
  • C++ build fails when configured with RDKIT_USE_BOOST_SERIALIZATION=OFF
    (github #3529 from rvianello)
  • Newest RDKIT version allowing chemically invalid smiles
    (github #3531 from GintasKam)
  • Behaviour of generate_aligned_coords for erroneous inputs
    (github #3539 from dskatov)
  • Drawing artifacts in draw_to_canvas_with_offset
    (github #3540 from dskatov)
  • Add missing methods to remove SubstanceGroup attributes
    (github #3547 from greglandrum)
  • Error writing SDF data containing UTF-8 to a StringIO object
    (github #3553 from greglandrum)
  • correct handling of amide distances for macrocycles
    (github #3559 from hjuinj)
  • Fix example of SmilesToMol
    (github #3575 from kazuyaujihara)
  • atom/bond notes handle capital letters incorrectly
    (github #3577 from greglandrum)
Assets 2