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I am wondering it is possible to get molecular structure or coordinates easily from view.
For example:
from ase.build import molecule
import nglview as nv
view = nv.show_ase(molecule('H2O'))
Now, how can I get elements and coordinates information back from view ?
I see that view.get_state() contains the elements and coordinates information. But it is
not easy to use. Is there any other good way to do it ? Thanks.
The text was updated successfully, but these errors were encountered:
hi @hainm
Actually, I want to write function to render high quality image by using Pov-Ray. I am thinking about to integrate it with Nglview.
For instance, call it by view.render_by_povray(). I would also like to make pull request for this function. So, I need the elements and their coordinates. Thanks.
I am wondering it is possible to get molecular structure or coordinates easily from view.
For example:
from ase.build import molecule import nglview as nv view = nv.show_ase(molecule('H2O'))
Now, how can I get elements and coordinates information back from view ?
I see that view.get_state() contains the elements and coordinates information. But it is
not easy to use. Is there any other good way to do it ? Thanks.
The text was updated successfully, but these errors were encountered: