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@@ -153,7 +153,7 @@ set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit")
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# Config variables:
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set(RDKit_Year "2025")
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set(RDKit_Month "03")
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set(RDKit_Revision "5")
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set(RDKit_Revision "6")
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set(RDKit_RevisionModifier "")
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set(RDKit_ABI "1")
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@@ -54,7 +54,7 @@ copyright = u'2025, Greg Landrum and other RDKit contributors'
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# The short X.Y version.
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version = '2025.03'
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# The full version, including alpha/beta/rc tags.
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release = '2025.03.5'
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release = '2025.03.6'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@@ -1,3 +1,60 @@
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# Release_2025.03.6
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(Changes relative to Release_2025.03.5)
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## Acknowledgements
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(Note: I'm no longer attempting to manually curate names. If you would like to
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see your contribution acknowledged with your name, please set your name in
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GitHub)
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Jakub Adamczyk, Michael Cho, David Cosgrove, Hussein Faara, Tad Hurst, Eisuke
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Kawashima, Brian Kelley, Yakov Pechersky, Pat Riley, Ricardo Rodriguez, Paolo
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Tosco, jdavies-nurix, badisa
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## New Features and Enhancements:
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- Expose CDX support to FileParsers and ChemDraw to SWIG
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(github pull #8681 from bp-kelley)
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- Add the useRingTemplates option to generateDepictionMatching2DStructure
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(github pull #8688 from ricrogz)
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## Documentation:
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- rdkit.Chem.BRICS.BRICSBuild misses docstring
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(github issue #7215 from e-kwsm)
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- Fix documentation errors for rdShapeAlign
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(github pull #8685 from badisa)
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- document the way the 2D/3D flag in ctabs is handled
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(github pull #8722 from greglandrum)
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- Update documentation for rdShapeAlign.AlignMol opt_param
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(github pull #8724 from priley-vv)
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## Bug Fixes:
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- GETAWAY descriptors seem nondeterministic
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(github issue #7264 from j-adamczyk)
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- Reading molecule from block gives None with no warning -- likely due to Cannot normalize a zero length vector in atropisomer code
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(github issue #8602 from pechersky)
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- RegistrationHash produces 2 separate hashes for 2636640-50-9 depending on input
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(github issue #8654 from jdavies-nurix)
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- Incorrect canonicalization when generating CXSMILES without enhanced stereo
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(github issue #8655 from greglandrum)
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- Incorrect MolHash when generating CXSMILES without enhanced stereo
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(github issue #8656 from greglandrum)
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- Fix parse error messages for bad characters
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(github pull #8675 from whosayn)
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- DrawMoleculeWithHighlights doesn't use SetOffset
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(github issue #8679 from DavidACosgrove)
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- Fix build with Boost 1.89.0
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(github pull #8694 from cho-m)
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- Fix drawing of very short arcs in lasso.
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(github pull #8706 from DavidACosgrove)
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- rdMolTransforms.CanonicalizeConformer inverts structure
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(github issue #8720 from DavidACosgrove)
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- Two small MinimalLib RGD bug fixes
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(github pull #8729 from ptosco)
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- Fixes a bug with bad H positions in output conformer
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(github pull #8731 from greglandrum)
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- patch a memory allocation problem in the pubchem shape code
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(github pull #8733 from greglandrum)
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# Release_2025.03.5
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(Changes relative to Release_2025.03.4)
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