CDPL::Biomol::AtomProperty Namespace Reference

Provides keys for built-in biomolecular Chem::Atom properties. More...

Variables
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_ATOM_NAME
	Specifies the residue-local name of the atom (e.g. CA, CB). More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_ALT_ATOM_NAME
	Specifies the alternative residue-local name of the atom. More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_LEAVING_ATOM_FLAG
	Specifies whether the atom is a leaving atom in the parent residue. More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_LINKING_ATOM_FLAG
	Specifies whether the atom is a linking atom between residues. More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_CODE
	Specifies the residue code (three-letter code) of the residue the atom belongs to. More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_SEQUENCE_NUMBER
	Specifies the sequence number of the residue the atom belongs to. More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_INSERTION_CODE
	Specifies the insertion code of the residue the atom belongs to. More...
CDPL_BIOMOL_API const Base::LookupKey	HETERO_ATOM_FLAG
	Specifies whether the atom is a heteroatom (HETATM record in PDB). More...
CDPL_BIOMOL_API const Base::LookupKey	SERIAL_NUMBER
	Specifies the serial number of the atom as read from or written to the input file. More...
CDPL_BIOMOL_API const Base::LookupKey	CHAIN_ID
	Specifies the chain identifier of the chain the atom belongs to. More...
CDPL_BIOMOL_API const Base::LookupKey	ALT_LOCATION_ID
	Specifies the alternate-location identifier of the atom. More...
CDPL_BIOMOL_API const Base::LookupKey	ENTITY_ID
	Specifies the identifier of the entity the atom belongs to (e.g. an mmCIF entity ID). More...
CDPL_BIOMOL_API const Base::LookupKey	MODEL_NUMBER
	Specifies the model number of the model the atom belongs to. More...
CDPL_BIOMOL_API const Base::LookupKey	OCCUPANCY
	Specifies the occupancy of the atom as read from or written to the input file. More...
CDPL_BIOMOL_API const Base::LookupKey	B_FACTOR
	Specifies the isotropic temperature (B-) factor of the atom. More...

Detailed Description

Provides keys for built-in biomolecular Chem::Atom properties.

Variable Documentation

RESIDUE_ATOM_NAME

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::RESIDUE_ATOM_NAME

extern

Specifies the residue-local name of the atom (e.g. CA, CB).

Value Type: std::string

RESIDUE_ALT_ATOM_NAME

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::RESIDUE_ALT_ATOM_NAME

extern

Specifies the alternative residue-local name of the atom.

Value Type: std::string

RESIDUE_LEAVING_ATOM_FLAG

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::RESIDUE_LEAVING_ATOM_FLAG

extern

Specifies whether the atom is a leaving atom in the parent residue.

Value Type: bool

RESIDUE_LINKING_ATOM_FLAG

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::RESIDUE_LINKING_ATOM_FLAG

extern

Specifies whether the atom is a linking atom between residues.

Value Type: bool

RESIDUE_CODE

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::RESIDUE_CODE

extern

Specifies the residue code (three-letter code) of the residue the atom belongs to.

Value Type: std::string

RESIDUE_SEQUENCE_NUMBER

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::RESIDUE_SEQUENCE_NUMBER

extern

Specifies the sequence number of the residue the atom belongs to.

Value Type: long

RESIDUE_INSERTION_CODE

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::RESIDUE_INSERTION_CODE

extern

Specifies the insertion code of the residue the atom belongs to.

Value Type: char

HETERO_ATOM_FLAG

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::HETERO_ATOM_FLAG

extern

Specifies whether the atom is a heteroatom (HETATM record in PDB).

Value Type: bool

SERIAL_NUMBER

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::SERIAL_NUMBER

extern

Specifies the serial number of the atom as read from or written to the input file.

Value Type: long

CHAIN_ID

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::CHAIN_ID

extern

Specifies the chain identifier of the chain the atom belongs to.

Value Type: std::string

ALT_LOCATION_ID

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::ALT_LOCATION_ID

extern

Specifies the alternate-location identifier of the atom.

Value Type: char

ENTITY_ID

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::ENTITY_ID

extern

Specifies the identifier of the entity the atom belongs to (e.g. an mmCIF entity ID).

Value Type: std::string

Since

1.2

MODEL_NUMBER

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::MODEL_NUMBER

extern

Specifies the model number of the model the atom belongs to.

Value Type: std::size_t

OCCUPANCY

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::OCCUPANCY

extern

Specifies the occupancy of the atom as read from or written to the input file.

Value Type: double

B_FACTOR

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::AtomProperty::B_FACTOR

extern

Specifies the isotropic temperature (B-) factor of the atom.

Value Type: double