packing_defect.core.writer

Deprecated shim for writer functions.

Re-exports write_defect_coordinates from packing_defect.io.writer for backward compatibility, and exposes write_combined_gro from utils for existing monkeypatch targets in tests/code.

Functions

write_defect_coordinates(protein, ...)

packing_defect.core.writer.write_combined_gro(protein_atoms, defect_atoms, dimensions, filepath)

Merge protein and defect atoms and write to a GRO file.

packing_defect.core.writer.write_defect_coordinates(protein, defect_atoms, dims, path)