Comments (1)
fixed in rev2503
from rdkit.
Related Issues (20)
- [regression] Could NOT find coordgen with RDK_INSTALL_STATIC_LIBS=OFF HOT 1
- PDB Import issue : MolFromPDBFile() vs MolFromPDBBlock() HOT 5
- Pre-condition violations for BCUT descriptor calculations
- Inconsistent serialization to mol format of undefined double bond stereochemisty depending on direction of adjacent wavy bond
- RegistrationHash.GetMolLayers does not distinguish atropisomers HOT 1
- Atropisomeric bond wedging should favor ring bonds
- SMILES output option to disable the RDKit dative bond syntax HOT 1
- DetectChemistryProblems fails with traceback when run on mols coming from aromatic SMARTS
- Generated stubs cause issues with mypy due to null bytes in file
- Some SMARTS patterns from CDK are not working in RDKit HOT 3
- RDKit Release_2024_03_1 not available on pypi HOT 3
- Molecular graphics are overlaid HOT 2
- 2023.9.6 duplicate "self" argument in `rdfiltercatalog/__init__.pyi` HOT 3
- MolsMatrixToGridImage() ignores useSVG and returnPNG arguments HOT 1
- Confusing stereoAtoms output for a stereo double bond HOT 2
- TypeError: No registered converter was able to produce a C++ rvalue of type class std::basic_string<wchar_t,struct std::char_traits<wchar_t>,class std::allocator<wchar_t> > from this Python object of type list HOT 1
- drawing mol with a non zero confID results in bad confID error HOT 4
- SetRemoveSp3Stereo(False) does not keep isotope (deuterium) induced stereochemistry HOT 4
- CXSmiles writer does not use default conformer ID
- The Morgan Fingerprint examples on the RDKit.org page aren't running correctly HOT 3
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from rdkit.