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  • Added dump method to molecule and atom (incl. the element symbol)
  • Removed END line from Template dump (because there should only be one END per PDB file)
  • Fixed dump method of hits to include the element.
  • Fixed how chainID1 and chainID2 are handled when an Atom is initialized from a cif file.
  • Fixed the right padding of element in Atom class.

I think I am happy now :) So as far as I am concerned these can be a new release?

@RayHackett RayHackett requested a review from althonos November 25, 2025 15:22
@althonos althonos merged commit d914756 into main Nov 26, 2025
64 of 66 checks passed
@RayHackett RayHackett deleted the molecule_dump branch November 26, 2025 15:39
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2 participants