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Tweaks to BondList merging #473

Merged
merged 8 commits into from
Apr 25, 2023
Merged

Tweaks to BondList merging #473

merged 8 commits into from
Apr 25, 2023

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padix-key
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This PR introduces the following changes:

  • If the two BondLists in BondList.merge() have different bond types the parameter BondList takes precedence.
  • PDBFile does give an appropriate BondType, if possible using the CCD
  • A bug was fixed in connect_via_distances() and connect_via_residue_names() which may cause unexpected bonds to non-polymer residues.

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