Skip to content

Macrocycle

Script: examples/topology/03_ring.py

Ring digits in CGSmiles add one more residue edge. Bifunctional glycol is enough — the closing bond reuses free ends.

from eo_kit import eo_builder # examples/topology/
from molpy.builder.assembly import ring_topology

ring = eo_builder().build_ring("EO", 6)
# → build(ring_topology(["EO"] * 6))

Check: for this condensation product, bond count equals atom count (one cycle).

cd examples && python topology/03_ring.py

See also