coarse_grained_conop module

This module contains some funcitons to connect coarse-grained martini structures

GenerateConnectivityDictFromITPFile(filename, connectivity_dict={})

This function reads in a martini itp file and generates a dicionary containing the connectivity information for the residues defined in the ITP file

ConnectAtomsFromDict(eh, connectivity_dict)

This function uses a connectivity dictionary to connect atoms of an Entity or EntityView

ConnectMartiniProteinAtoms(eh)

Heuristic connection builder for Martini proteins generated by the martinize.py script The backbone atoms have to be named BB

ConnectMartiniAtomsHeuristic(eh, d=5.0)

This function simply connects atoms from the same resdiue and closer than the cutoff distance d