Path D - Module 37: Hydrogen Bonds & Salt Bridges

Map the H-bond network that coordinates K+ ions in the selectivity filter. In this module, you will learn to identify the exact chemical anchors of the pore.

import molsysmt as msm
molsys = msm.convert('pdb:1K4C', to_form='molsysmt.MolSys')
msm.build.add_missing_hydrogens(molsys)
hb = msm.hbonds.get_hbonds(molsys, selection='group_id==[70:80]')