rdkit.Chem.rdchem - The Core Module

Cheminformatics Tutorials - Herong's Tutorial Examples

∟rdkit.Chem.rdchem - The Core Module

This chapter provides introductions and tutorial examples on rdkit.Chem.rdchem module. Topics include introduction of rdkit.Chem.rdchem module and its main classes: Mol, Atom, Bond, RWMol.

What Is rdkit.Chem.rdchem Module

rdkit.Chem.rdchem.Mol - The Molecule Class

rdkit.Chem.rdchem.Atom - The Atom Class

rdkit.Chem.rdchem.Bond - The Bond Class

rdkit.Chem.rdchem.RWMol - The RWMol Class

Takeaways:

rdkit.Chem.rdchem module is core module of the RDKit library, providing core chemistry functionalities to create and convert molecules and related objects.
rdkit.Chem.rdchem.Mol represents a molecule with the following main properties, child objects, and methods.
rdkit.Chem.rdchem.Atom represents an atom, which is usually included in a molecule as a child object.
rdkit.Chem.rdchem.Bond represents a bond, which connects two atoms in a molecule as a child object.
rdkit.Chem.rdchem.RWMol represents a molecule class with additional read and write functionalities.