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Improve PDB formatting with incomplete Monomer info #7286

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Improve PDB formatting with incomplete Monomer info #7286

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Commits on Mar 19, 2024

  1. Fix PDB formatting if residue name is set but atom name is not. 

    * additionally, sets the width of the atom name to 4. If the name is set
  to something shorter than 4 letters, fill up with whitespace. This
  avoids bad column alignment. If the name is set to something with more
  than 4 characters, the PDB will still be invalid.
    Franz Waibl committed Mar 19, 2024
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Commits on Mar 21, 2024

  1. Merge branch 'master' of github.com:fwaibl/rdkit

    Franz Waibl committed Mar 21, 2024
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Commits on Mar 22, 2024

  1. Add a test for missing residue name and short atom names

    Franz Waibl committed Mar 22, 2024
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  2. Fix atom name alignment in unit test

    Franz Waibl committed Mar 22, 2024
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