2021_03_5 (Q1 2021) Release
·
1 commit
to Release_2021_03
since this release
Release_2021.03.5
(Changes relative to Release_2021.03.4)
Acknowledgements
Jason Biggs, Brian Kelley, Lewis J. Martin, Dan Nealschneider, Ricardo
Rodriguez-Schmidt, David Slochower, Paolo Tosco, Maciej Wójcikowski
Bug Fixes:
- cannot pass drawOptions to MolsToGridImage when using notebook
(github #3101 from slochower) - call to AvalonTools::set2DCoords results in an assert violation
(github #4330 from jasondbiggs) - MolBlock writer gives non-stereo double bonds "unspecified" parity
(github #4345 from d-b-w) - Specified trans stereo being ignored during conformation generation in macrocycles
(github #4346 from greglandrum) - Two MinGW build fixes and one MSVC build fix
(github #4347 from ptosco) - Fixes RDK_BUILD_THREADSAFE_SSS=OFF build
(github #4349 from ptosco) - Three more Windows build fixes
(github #4356 from ptosco) - Specified grid spacing for ShapeTanimotoDistance is ignored.
(github #4364 from greglandrum) - Need implicit H cleanup after rdMolEnumerator.Enumerate()
(github #4381 from greglandrum) - rdMolEnumerator.Enumerate fails on variable attachment points with queries
(github #4382 from greglandrum) - RDKit reaction produces wrong double bond stereochemistry
(github #4410 from mwojcikowski) - v2000 SGroups do not generate an "index" property
(github #4434 from ricrogz)