End-linked network¶

Script: examples/topology/09_end_linked.py

Telechelic strands; only end residue carbons are marked for crosslinking. Mid-chain carbons never react — network vertices are the ends you chose.

from eo_kit import XLINK, eo_builder, full_library, mark_residue_crosslink_sites
from molpy.builder.assembly import ExhaustiveSelector, GraphAssembler, Replicas
import molpy as mp

lib = full_library()
builder = eo_builder(extra={"CAPA": lib["CAPA"], "CAPB": lib["CAPB"]})
strand = builder.build_sequence(["CAPA"] + ["EO"] * 5 + ["CAPB"])
mark_residue_crosslink_sites(strand, {"CAPA", "CAPB"}, site="x", leaving="h")
melt = Replicas(strand).times(6, spacing=5.0)

gel = GraphAssembler(mp.Reaction(XLINK)).assemble(
    melt,
    ExhaustiveSelector(cutoff=8.0, exclude_same_molecule=True),
)

cd examples && python topology/09_end_linked.py

End-linked network¶

See also¶