Get van der Waals radii array.
()
| 18 | |
| 19 | |
| 20 | def get_vdw_radii_array(): |
| 21 | """Get van der Waals radii array.""" |
| 22 | return np.array( |
| 23 | [VDW_RADII_MAPPING[i] if i in VDW_RADII_MAPPING.keys() else -1.0 for i in range(119)] |
| 24 | ) |
| 25 | |
| 26 | |
| 27 | def get_vdw_radii_array_uff(): |