Path C - Module 32: Visualizing Interaction Matrices

To communicate your drug design results, you need clear visuals. In this module, you will learn to generate an interaction matrix plot between the viral protease and the inhibitor.

import molsysmt as msm

molsys = msm.convert('pdb:6LU7', to_form='molsysmt.MolSys')

# Show the contact map
msm.structure.show_contacts(molsys, selection='molecule_type=="small molecule"', 
                            selection_2='molecule_type=="protein"', threshold='0.5 nm')