Related Issues (20)
- AtomPairs.Utils.NumPiElectrons fails on atoms with dative bonds
- SaltRemover may clear computed properties even if no atoms are removed
- DetermineBondOrders() makes incorrect assumptions about valence HOT 1
- Incorrect ring information for disubstituted rings HOT 2
- Expose RecursiveStructureQuery to python
- Bond Missing on Phytomedicine document : drawing option HOT 7
- Error on reaction smart parsing HOT 1
- RASCAL gives different results with different similarity threshold HOT 1
- Bridgehead nitrogen stereo flipped on hydrogen removal
- Can't kekulize mol HOT 2
- Trigonal Pyramid Carbon may or not have a parity depending on atom ordering
- Add automatic data type inference to PandasTools.LoadSDF HOT 2
- Suppress DeprecationWarning HOT 4
- PDB import issue HOT 2
- CDXML parser doesn't recognize any bonds
- [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
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