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    b763d425
    mmcif writing: make mmCIFify optional · b763d425
    Studer Gabriel authored
    There are two modes of mmCIF writing.
    - Entities that are already mmCIF conform: Water/ligands are in
      separate chains etc.
    - Entities are a mess: Chains must be split and we need to
      assign educated guesses of chain types.
    The writer currently implements the second scenario. This commit introduces
    a flag to choose between the two scenarios. In case of the first scenario
    there is not much guessing but rather sanity checks whether the residues
    of the respective chains are compatible with the chain types that are set.
    The code itself is not working yet.
    b763d425
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    mmcif writing: make mmCIFify optional
    Studer Gabriel authored
    There are two modes of mmCIF writing.
    - Entities that are already mmCIF conform: Water/ligands are in
      separate chains etc.
    - Entities are a mess: Chains must be split and we need to
      assign educated guesses of chain types.
    The writer currently implements the second scenario. This commit introduces
    a flag to choose between the two scenarios. In case of the first scenario
    there is not much guessing but rather sanity checks whether the residues
    of the respective chains are compatible with the chain types that are set.
    The code itself is not working yet.