biotite.structure.info.vdw_radius_single¶
- biotite.structure.info.vdw_radius_single(element)[source]¶
Get the Van-der-Waals radius of an atom from the given element. 1
- Parameters
- elementstr
The chemical element of the atoms.
- Returns
- The Van-der-Waals radius of the atom.
- If the radius is unknown for the element, None is returned.
See also
References
- 1
A. Bondi, “Van der Waals volumes and radii,” The Journal of Physical Chemistry, vol. 68, pp. 441–451, March 1964. doi: 10.1021/j100785a001
Examples
>>> print(vdw_radius_single("C")) 1.7
Gallery¶
Partial charge distribution
Creation of an amino acid rotamer library
Creation of an amino acid rotamer library