proteindf_bridge.atom module¶

class proteindf_bridge.atom.Atom(*args, **kwargs)[source]¶

Bases: 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()[source]¶

property is_real¶

property label¶

move_to(position)[source]¶

Return type:: Atom

property name¶

property path¶

property position¶

rotate(rotmat)[source]¶

Return type:: None

set_by_raw_data(data)[source]¶

shift_by(direction)[source]¶

Return type:: Atom

property symbol¶

property vdw¶

weight()[source]¶

property xyz¶