Fix lowercase atom name encoding - #369
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Summary
Fix issue 278 B2. Single line change that ensures all inputs are uppercase for the model.
Changes
Changed a single line from: to
atom.GetProp("annot_atom_name").ljust(4)toatom.GetProp("annot_atom_name").upper().ljust(4)Related Issues
Testing
Ensured the new line gives the model the uppercase text, while the original molecular data is unchanged.