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@greglandrum greglandrum released this 28 Jan 03:17
Release_2013_09_2
36d21a0

****** Release_2013.09.2 *******
(Changes relative to Release_2013.09.2)

Acknowledgements:
Andrew Dalke, JP Ebejer, Daniel Moser, Sereina Riniker, Roger Sayle, Manuel Schwarze, Julia Weber

Bug Fixes:

  • cannot pickle unsanitized molecules
    (github issue 149)
  • Problems reading PDB files when locale is DE
    (github issue 170)
  • calling RWMol::clear() leaves property dict empty
    (github issue 176)
  • zero atom molecule generates exception in MolToSmiles when
    rootedAtAtom is provided
    (github issue 182)
  • bond orders not being set when PDB files are read
    (github issue 194)
  • GenMACCSKeys() raises an exception with an empty molecule
    (github issue 195)
  • left-justified SDF bond topology of "0" raises an unexpected
    exception
    (github issue 196)
Assets 2