Scripts for designing expanded, isoreticular co-crystals and crystal datasets with guest protein and small molecule.

A collection of Python scripts, starter models, and other ancillary files used to design the expanded, isoreticular co-crystals of protein and DNA. Also, two datasets for the expanded, interpenetrating co-crystals grown with the guest protein. One dataset for the expanded, interpenetrating co-crystals grown with the guest small molecule, doxorubicin.