source

Specifies the processing and interpretation of the initial source coordinate file

Single-valued attributes:

  • biological_assembly: integer index of the biological assembly to construct; default is 0, signifying that the asymmetric unit is to be used (default: 0)

  • transform_reserves: dictionary keyed by chain IDs in the asymmetric unit with values that are lists of chain ID’s for symmetry-related chains in other units of the biological assembly

  • remap_chainIDs: dictionary mapping of chainIDs in structure input to new chainIDs

  • reserialize: If true, resets the serial numbers of all atoms based on their order in the input structure file – use with caution!! (default: False)

  • model: model number to use if there are multiple models in the file

  • cif_residue_map_file: name of output file to write a mapping of CIF chain-residue number to author chain-residue number-insertion

  • include: Logical expressions involving atom attributess used in series to specify those atoms to be included

    Example:

    - chainID == 'A'
    - resname == 'GLY'
    - chainID in ['A', 'B']
    
  • exclude: List of logical expressions involving atom attributes used in parallel to specify those atoms to be excluded

Subattribute: