opencadd.structure.superposition.engines.mmligner.MMLignerAligner.ivalue

MMLignerAligner.ivalue(structures, alignment)[source]

Parse back output PDBs and construct updated Structure models.

Parameters

  • structures ([array like, array like]) – sequences of two protein structures of same length

  • alignment (biotite.alignment) – alignment of the given two sequences

Returns

As returned by ._parse_scoring(output).

  • scores (dict):

    • rmsd (float): RMSD value of the alignment

    • score (float): ivalue of the alignment

    • coverage (float): coverage of the alignment

Return type

dict