Script examples to create sheets and boxes of atoms
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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
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Thanks Tom!
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