Telechelic chain¶
Script: examples/topology/06_telechelic.py
End groups are one-port units at the ends of a path: CAPA (C[>]) joins the first EO's <, and CAPB ([<]OC) joins the last EO's >.
import molpy as mp
from eo_kit import library
sites = mp.io.cgsmiles.CgSmilesIr("{[#CAPA][#EO]|6[#CAPB]}").to_coarsegrain()
tele = mp.builder.Assembler(library(), mp.builder.GrowthPlacer()).assemble(sites, mp.Atomistic)
Check: 8 units, 51 atoms, no open port.