OELigandAlignerBase

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

OESystem::OEUnaryFunction<OEChem::OEMolBase, bool, false, true>  OELigandAlignerBase;

OELigandAlignerBase is an abstract class. Functors deriving from this class can be used to perform custom ligand alignment when generating images of ligand-protein interactions.

The following classes derive from this abstract class:

OENoOpLigandAligner class

operator()

__call__(arg0: Union[OEGraphMol,OEMol,OEQMol]) -> bool

This is a virtual const method that must be implemented in the concrete derived classes.

CreateCopy

CreateCopy() -> OELigandAlignerBase

Virtual const constructor which allows copying of concrete derived objects using a reference to this base class.