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version bump
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@@ -120,7 +120,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit")
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# Config variables:
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set(RDKit_Year "2021")
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set(RDKit_Month "03")
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set(RDKit_Revision "4")
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set(RDKit_Revision "5")
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set(RDKit_RevisionModifier "")
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set(RDKit_ABI "1")
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@@ -1,3 +1,37 @@
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# Release_2021.03.5
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(Changes relative to Release_2021.03.4)
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## Acknowledgements
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Jason Biggs, Brian Kelley, Lewis J. Martin, Dan Nealschneider, Ricardo
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Rodriguez-Schmidt, David Slochower, Paolo Tosco, Maciej Wójcikowski
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## Bug Fixes:
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- cannot pass drawOptions to MolsToGridImage when using notebook
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(github #3101 from slochower)
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- call to AvalonTools::set2DCoords results in an assert violation
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(github #4330 from jasondbiggs)
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- MolBlock writer gives non-stereo double bonds "unspecified" parity
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(github #4345 from d-b-w)
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- Specified trans stereo being ignored during conformation generation in macrocycles
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(github #4346 from greglandrum)
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- Two MinGW build fixes and one MSVC build fix
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(github #4347 from ptosco)
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- Fixes RDK_BUILD_THREADSAFE_SSS=OFF build
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(github #4349 from ptosco)
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- Three more Windows build fixes
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(github #4356 from ptosco)
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- Specified grid spacing for ShapeTanimotoDistance is ignored.
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(github #4364 from greglandrum)
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- Need implicit H cleanup after rdMolEnumerator.Enumerate()
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(github #4381 from greglandrum)
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- rdMolEnumerator.Enumerate fails on variable attachment points with queries
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(github #4382 from greglandrum)
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- RDKit reaction produces wrong double bond stereochemistry
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(github #4410 from mwojcikowski)
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- v2000 SGroups do not generate an "index" property
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(github #4434 from ricrogz)
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# Release_2021.03.4
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(Changes relative to Release_2021.03.3)
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@@ -5,8 +39,6 @@
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Brian Kelley, Rasmus Lundsgaard, Dan Nealschneider, Ricardo Rodriguez-Schmidt,
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Matt Swain, Paolo Tosco, Kazuya Ujihara, Alain Vaucher, 'jungb-basf'
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## Bug Fixes:
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- EnumerateStereoisomers fail with STEREOANY bonds from molblock
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(github #3759 from TermeHansen)
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@@ -38,8 +70,6 @@ Matt Swain, Paolo Tosco, Kazuya Ujihara, Alain Vaucher, 'jungb-basf'
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(github #4311 from greglandrum)
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# Release_2021.03.3
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(Changes relative to Release_2021.03.2)
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