PoreMS 0.2
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    Atom¶

    class porems.atom.Atom(pos, atom_type, name='', residue=0)¶

    This class defines an atom object containing the position, the atom type and optionally a specific name.

    Parameters:
    pos : list

    Atom position

    atom_type : string

    Atom type as in the periodic table of elements

    name : string, optional

    Atom name

    residue : integer, optional

    Residue number

    Representation

    __repr__(self) Create a pandas table of the atom data.

    Setter Methods

    set_atom_type(self, atom_type) Set the atom type.
    set_name(self, name) Set the atom name.
    set_pos(self, pos) Set the atom position.
    set_residue(self, residue) Set the residue index.

    Getter Methods

    get_atom_type(self) Return the atom type.
    get_name(self) Return the atom position.
    get_pos(self) Return the atom position.
    get_residue(self) Return the residue index.

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    © Copyright 2021, Hamzeh Kraus.
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