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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/types.h>#include <string>#include <list>#include <vector>#include <iostream>#include <GraphMol/ROMol.h>Go to the source code of this file.
Classes | |
| class | RDKit::MolSupplier |
| class | RDKit::ForwardSDMolSupplier |
| class | RDKit::SDMolSupplier |
| class | RDKit::SmilesMolSupplier |
| lazy file parser for Smiles tables More... | |
| class | RDKit::TDTMolSupplier |
| lazy file parser for TDT files More... | |
| class | RDKit::PDBMolSupplier |
| lazy file parser for PDB files More... | |
Namespaces | |
| RDKit | |
| Includes a bunch of functionality for handling Atom and Bond queries. | |
Functions | |
| std::string | RDKit::strip (const std::string &orig) |