InteractionPharmacophoreGenerator.hpp File Reference

Definition of class CDPL::Pharm::InteractionPharmacophoreGenerator. More...

#include "CDPL/Pharm/APIPrefix.hpp"
#include "CDPL/Pharm/DefaultPharmacophoreGenerator.hpp"
#include "CDPL/Pharm/BasicPharmacophore.hpp"
#include "CDPL/Pharm/FeatureMapping.hpp"
#include "CDPL/Pharm/DefaultInteractionAnalyzer.hpp"
#include "CDPL/Pharm/FeatureSet.hpp"
#include "CDPL/Chem/Fragment.hpp"

Go to the source code of this file.

Classes
class	CDPL::Pharm::InteractionPharmacophoreGenerator
	Driver that generates an interaction pharmacophore by perceiving a core pharmacophore on a ligand, an environment pharmacophore on the surrounding pocket residues, analyzing the inter-feature interactions and emitting features representing the detected interactions (optionally with exclusion volumes). More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Pharm
	Contains classes and functions related to pharmacophore perception and pharmacophore applications.

Detailed Description

Definition of class CDPL::Pharm::InteractionPharmacophoreGenerator.