Python script

Here, we rotate a molecule and save it to a list:

>>> from ase.build import molecule
>>> atoms = molecule("C2H6SO")
>>> images = []
>>> for i in range(20):
>>>     temp = atoms.copy()
>>>     temp.rotate(18*i, "z", center = atoms[0].position)
>>>     images.append(temp)

Then load it to Batoms:

>>> from batoms import Batoms
>>> c2h6so = Batoms(label = "c2h6so", from_ase = images)

Or you can render all images by:

>>> c2h6so.get_image([0, 0, 1], engine = "eevee", animation = True)

Then, on Linux, run following command to convert all png files to a gif file:

convert -dispose Background *.png animation.gif
../_images/animation_c2h6so.gif 
>>> from batoms.bio import read
>>> images = read("c2h6so-animation.xyz", index = ":")

For Espresso output file:

>>> from batoms.bio import read
>>> images = read("espresso.pwo", index = ":")