ProtoCaller.IO.PDB.Atom module¶

class ProtoCaller.IO.PDB.Atom.Atom(pdb_line)¶

Bases: ProtoCaller.IO.PDB._Helper_Mixin.HelperMixin

Represents a single ATOM or HETATM instance in a PDB file. The attributes in this atom have been taken from: https://swift.cmbi.umcn.nl/gv/whatcheck/HTML/Format.pdf, p. 194.

Parameters: pdb_line (str) – A line from a PDB file that starts with “ATOM” or “HETATM”.

type¶

“ATOM” or “HETATM”.

Type: str

serial¶

Atom serial number.

Type: int

name¶

Atom name.

Type: str

altLoc¶

Alternate location indicator.

Type: str

resName¶

Residue name.

Type: str

chainID¶

Chain identifier.

Type: str

resSeq¶

Residue sequence number.

Type: int

iCode¶

Code for insertion of residues.

Type: str

x¶

Orthogonal coordinates for X in Angstroms.

Type: float

y¶

Orthogonal coordinates for Y in Angstroms.

Type: float

z¶

Orthogonal coordinates for Z in Angstroms.

Type: float

occupancy¶

Occupancy.

Type: str

tempFactor¶

Temperature factor.

Type: str

element¶

Element symbol.

Type: str

charge¶

Charge on the atom.

Type: str