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PDBx/mmCIF structure support #32

@RubenChM

Description

@RubenChM

Current structure file use legacy pdb format which comes with some shortcomings like:

  • Number of atoms limited to 999999
  • Number of residues limited to 9999
  • Number of chains limited to 52
  • Name of residues to 4 letters
    • gro files can have bigger residue names like in A01J4

Useful links:

  1. Understand:
    1. 101.
    2. Guide.
    3. Ecosystem.
  2. Software.
    1. https://gemmi.readthedocs.io/en/latest/cif.html#reading-and-writing

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