Atom

class visualife.data.Atom(args)

Bases: object

Represents an atom, e.g. from a PDB file

Creates a new atom

Order of arguments

To create a new atom, a list of parameters must be provided. The parameters must be given in the following order (IMPORTANT!): x, y, z, atom_id, atom_name, insertion_code

The atom class actually holds a reference to the argument list, thus avoiding copying the data and creating a new object The argument list however cannot be modified after an atom is created.

a = Atom( [x, y, z, atom_number, atom_name, atom_alt_loc] )

Attributes Summary

element
icode
id
name
owner
x
y
z

Methods Summary

distance_square_to(another_atom[, bound])

Attributes Documentation

element

icode

id

name

owner

x

y

z

Methods Documentation

distance_square_to(another_atom, bound=10000.0)