CDPL.Biomol.AtomProperty Class Reference

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

Inheritance diagram for CDPL.Biomol.AtomProperty:

Static Public Attributes
	RESIDUE_ATOM_NAME = CDPL.Base.LookupKey('RESIDUE_ATOM_NAME')
	Specifies the residue-local name of the atom (e.g. More...
	RESIDUE_ALT_ATOM_NAME = CDPL.Base.LookupKey('RESIDUE_ALT_ATOM_NAME')
	Specifies the alternative residue-local name of the atom. More...
	RESIDUE_LEAVING_ATOM_FLAG = CDPL.Base.LookupKey('RESIDUE_LEAVING_ATOM_FLAG')
	Specifies whether the atom is a leaving atom in the parent residue. More...
	RESIDUE_LINKING_ATOM_FLAG = CDPL.Base.LookupKey('RESIDUE_LINKING_ATOM_FLAG')
	Specifies whether the atom is a linking atom between residues. More...
	RESIDUE_CODE = CDPL.Base.LookupKey('RESIDUE_CODE')
	Specifies the residue code (three-letter code) of the residue the atom belongs to. More...
	RESIDUE_SEQUENCE_NUMBER = CDPL.Base.LookupKey('RESIDUE_SEQUENCE_NUMBER')
	Specifies the sequence number of the residue the atom belongs to. More...
	RESIDUE_INSERTION_CODE = CDPL.Base.LookupKey('RESIDUE_INSERTION_CODE')
	Specifies the insertion code of the residue the atom belongs to. More...
	HETERO_ATOM_FLAG = CDPL.Base.LookupKey('HETERO_ATOM_FLAG')
	Specifies whether the atom is a hetero atom (HETATM record in PDB). More...
	CHAIN_ID = CDPL.Base.LookupKey('CHAIN_ID')
	Specifies the chain identifier of the chain the atom belongs to. More...
	ALT_LOCATION_ID = CDPL.Base.LookupKey('ALT_LOCATION_ID')
	Specifies the alternate-location identifier of the atom. More...
	ENTITY_ID = CDPL.Base.LookupKey('ENTITY_ID')
	Specifies the identifier of the entity the atom belongs to (e.g. More...
	MODEL_NUMBER = CDPL.Base.LookupKey('MODEL_NUMBER')
	Specifies the model number of the model the atom belongs to. More...
	SERIAL_NUMBER = CDPL.Base.LookupKey('SERIAL_NUMBER')
	Specifies the serial number of the atom as read from or written to the input file. More...
	OCCUPANCY = CDPL.Base.LookupKey('OCCUPANCY')
	Specifies the occupancy of the atom as read from or written to the input file. More...
	B_FACTOR = CDPL.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.

Member Data Documentation

RESIDUE_ATOM_NAME

CDPL.Biomol.AtomProperty.RESIDUE_ATOM_NAME = CDPL.Base.LookupKey('RESIDUE_ATOM_NAME')

static

Specifies the residue-local name of the atom (e.g.

CA, CB).

Value Type: std::string

RESIDUE_ALT_ATOM_NAME

CDPL.Biomol.AtomProperty.RESIDUE_ALT_ATOM_NAME = CDPL.Base.LookupKey('RESIDUE_ALT_ATOM_NAME')

static

Specifies the alternative residue-local name of the atom.

Value Type: std::string

RESIDUE_LEAVING_ATOM_FLAG

CDPL.Biomol.AtomProperty.RESIDUE_LEAVING_ATOM_FLAG = CDPL.Base.LookupKey('RESIDUE_LEAVING_ATOM_FLAG')

static

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

Value Type: bool

RESIDUE_LINKING_ATOM_FLAG

CDPL.Biomol.AtomProperty.RESIDUE_LINKING_ATOM_FLAG = CDPL.Base.LookupKey('RESIDUE_LINKING_ATOM_FLAG')

static

Specifies whether the atom is a linking atom between residues.

Value Type: bool

RESIDUE_CODE

CDPL.Biomol.AtomProperty.RESIDUE_CODE = CDPL.Base.LookupKey('RESIDUE_CODE')

static

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

Value Type: std::string

RESIDUE_SEQUENCE_NUMBER

CDPL.Biomol.AtomProperty.RESIDUE_SEQUENCE_NUMBER = CDPL.Base.LookupKey('RESIDUE_SEQUENCE_NUMBER')

static

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

Value Type: long

RESIDUE_INSERTION_CODE

CDPL.Biomol.AtomProperty.RESIDUE_INSERTION_CODE = CDPL.Base.LookupKey('RESIDUE_INSERTION_CODE')

static

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

Value Type: char

HETERO_ATOM_FLAG

CDPL.Biomol.AtomProperty.HETERO_ATOM_FLAG = CDPL.Base.LookupKey('HETERO_ATOM_FLAG')

static

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

Value Type: bool

CHAIN_ID

CDPL.Biomol.AtomProperty.CHAIN_ID = CDPL.Base.LookupKey('CHAIN_ID')

static

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

Value Type: std::string

ALT_LOCATION_ID

CDPL.Biomol.AtomProperty.ALT_LOCATION_ID = CDPL.Base.LookupKey('ALT_LOCATION_ID')

static

Specifies the alternate-location identifier of the atom.

Value Type: char

ENTITY_ID

CDPL.Biomol.AtomProperty.ENTITY_ID = CDPL.Base.LookupKey('ENTITY_ID')

static

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.AtomProperty.MODEL_NUMBER = CDPL.Base.LookupKey('MODEL_NUMBER')

static

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

Value Type: std::size_t

SERIAL_NUMBER

CDPL.Biomol.AtomProperty.SERIAL_NUMBER = CDPL.Base.LookupKey('SERIAL_NUMBER')

static

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

Value Type: long

OCCUPANCY

CDPL.Biomol.AtomProperty.OCCUPANCY = CDPL.Base.LookupKey('OCCUPANCY')

static

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

Value Type: double

B_FACTOR

CDPL.Biomol.AtomProperty.B_FACTOR = CDPL.Base.LookupKey('B_FACTOR')

static

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

Value Type: double