%load_ext autoreload
%autoreload 2
import molsysmt as msm
from molsysmt import pyunitwizard as puw
import numpy as np
import matplotlib.pyplot as plt

Show contacts#

molecular_system = msm.convert('1TCD', 'molsysmt.MolSys')
msm.structure.show_contacts(molecular_system, selection='atom_name=="CA"', threshold='1.2 nm')
fig = msm.structure.show_contacts(molecular_system, selection='atom_name=="CA"', threshold='1.2 nm', style='matplotlib', show=False)
../../../../_images/5f24fdbf9a6e4753904423f947ad72eafbc2730a36456a53680c035366d6b722.png