Get atomic radius#
import molsysmt as msm
molecular_system = msm.convert(msm.systems['Trp-Cage']['1l2y.h5msm'])
radius_atom = msm.physchem.get_atomic_radius(molecular_system, element='atom', selection='group_id==4',
definition='vdw')
radius_atom
Magnitude | [0.155 0.17 0.17 0.152 0.17 0.17 0.17 0.17 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11] |
---|---|
Units | nanometer |