BALL::StaticLigandFragment Class Reference

#include <BALL/DOCKING/COMMON/staticLigandFragment.h>

Classes
struct	Connection

Public Attributes
int	ID
list< Atom * >	atoms
vector< Connection >	connections
Vector3	force
Vector3	force_axis
Vector3	center

Detailed Description

Definition at line 18 of file staticLigandFragment.h.

Member Data Documentation

list<Atom*> BALL::StaticLigandFragment::atoms

all atoms of this ligand fragment

Definition at line 27 of file staticLigandFragment.h.

Vector3 BALL::StaticLigandFragment::center

the geometrical center of the ligand fragment

Definition at line 38 of file staticLigandFragment.h.

vector<Connection> BALL::StaticLigandFragment::connections

Definition at line 29 of file staticLigandFragment.h.

Vector3 BALL::StaticLigandFragment::force

the overall force of the entire fragment

Definition at line 32 of file staticLigandFragment.h.

Vector3 BALL::StaticLigandFragment::force_axis

direction of the fragment force; i.e. the sum of the absolute values of the atom forces

Definition at line 35 of file staticLigandFragment.h.

int BALL::StaticLigandFragment::ID

the position of this fragment within ligand_fragments_

Definition at line 21 of file staticLigandFragment.h.