Script examples to create sheets and boxes of atoms

[Tom 1]

I'm posting these in-case they are helpful to anyone else. They were helpful to me in learning more about writing scripts inPython for SAMSON. The first script create_lonsdaleite_XY.py takes a set of atom coordinates (called the moiety_list) to create a structural group. It then replicates that group over and over while adding them to the structural model to make a sheet. create_lonsdaleite_XY.py

The second creates a 3D box by adding atoms to the structural model directly. It is the more elegant solution and was given to me by Dmitriy.

create_lonsdaleite_XYZ_atoms.py

Hope these are helpful to anyone, and I hopefully more to follow!

Tom

[DmitriyMarin]

Thanks Tom!