scripts.data.preprocessing.parseCoords.parseCoords

scripts.data.preprocessing.parseCoords.parseCoords(filename, save=True)[source]

Parse coordinates from .red.pdb files, and dump in files if specified.

Parameters:

  • filename (str) – path to .red.pdb file

  • save (bool, default=True) – whether or not to dump the results

Returns:

  • chain_tensors (dict) – Dictionary mapping chain IDs to arrays of atomic coordinates.

  • seq (str) – Sequence of all chains concatenated.