BALL::PDB::Structure Struct Reference

#include <BALL/FORMAT/PDBdefs.h>

Classes
struct	AtomEntry
struct	ConectAtomList
struct	NCSMatrix
struct	UnitCellInfo

Public Member Functions
void	clear ()

Public Attributes
struct BALL_EXPORT BALL::PDB::Structure::UnitCellInfo	unitcell_info
std::vector< NCSMatrix >	ncs_matrices
std::vector< AtomEntry >	atoms
HashSet< const ::BALL::Atom * >	conect_atoms
std::vector< const Bond * >	hydrogen_bonds
std::vector< const Bond * >	saltbridges
std::vector< const Bond * >	ssbonds
std::vector< std::pair< AChar, String > >	chain_residue_names
std::vector< const SecondaryStructure * >	sec_structs

Detailed Description

Definition at line 1245 of file PDBdefs.h.

Member Function Documentation

void BALL::PDB::Structure::clear ( )

inline

Definition at line 1319 of file PDBdefs.h.

Member Data Documentation

std::vector<AtomEntry> BALL::PDB::Structure::atoms

Definition at line 1309 of file PDBdefs.h.

std::vector<std::pair<AChar, String> > BALL::PDB::Structure::chain_residue_names

Definition at line 1316 of file PDBdefs.h.

HashSet<const ::BALL::Atom*> BALL::PDB::Structure::conect_atoms

Definition at line 1311 of file PDBdefs.h.

std::vector<const Bond*> BALL::PDB::Structure::hydrogen_bonds

Definition at line 1312 of file PDBdefs.h.

std::vector<NCSMatrix> BALL::PDB::Structure::ncs_matrices

Definition at line 1308 of file PDBdefs.h.

std::vector<const Bond*> BALL::PDB::Structure::saltbridges

Definition at line 1313 of file PDBdefs.h.

std::vector<const SecondaryStructure*> BALL::PDB::Structure::sec_structs

Definition at line 1317 of file PDBdefs.h.

std::vector<const Bond*> BALL::PDB::Structure::ssbonds

Definition at line 1314 of file PDBdefs.h.

struct BALL_EXPORT BALL::PDB::Structure::UnitCellInfo BALL::PDB::Structure::unitcell_info