KuvekPocketDescriptorCalculator.hpp File Reference

Definition of class CDPL::Descr::KuvekPocketDescriptorCalculator. More...

#include <cstddef>
#include <vector>
#include <functional>
#include "CDPL/Descr/APIPrefix.hpp"
#include "CDPL/Chem/Atom3DCoordinatesFunction.hpp"
#include "CDPL/Math/Vector.hpp"

Go to the source code of this file.

Classes
class	CDPL::Descr::KuvekPocketDescriptorCalculator
	Implements the algorithm devised by Kuvek et al. [KBPD] for the calculation of receptor binding pocket shape and surface electrostatics descriptors. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Descr
	Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors.

Detailed Description

Definition of class CDPL::Descr::KuvekPocketDescriptorCalculator.