I want to do some calculations for light scattering by molecules. I have the molecule’s CIF file, i.e specify coordinates of atoms etc. Which software should I use? PyMatGen said they are only for crystals.
I want to do some calculations for light scattering by molecules. I have the molecule’s CIF file, i.e specify coordinates of atoms etc. Which software should I use? PyMatGen said they are only for crystals.