proteindf_bridge.atom モジュール

class proteindf_bridge.atom.Atom(*args, **kwargs)

ベースクラス: object

>>> a = Atom()
>>> a.symbol = 'Fe'
>>> a.atomic_number
26
>>> a.symbol
'Fe'
>>> a.charge = -0.2
>>> math.fabs(a.charge - (-0.2)) < 1.0E-10
True
>>> b = Atom(a)
>>> b.symbol = 'Na'
>>> a.symbol
'Fe'
>>> b.symbol
'Na'

property atomic_number

property charge

property force

get_raw_data()

property is_real

property label

move_to(position)

戻り値の型:

Atom

property name

property path

property position

rotate(rotmat)

戻り値の型:

None

set_by_raw_data(data)

shift_by(direction)

戻り値の型:

Atom

property symbol

property vdw

weight()

property xyz