AAMut

class AAMut(verbose=False, df_scales=None)[source]

Bases: Tool

Amino Acid Mutator (AAMut) class for analyzing the physicochemical impact of amino acid substitutions on property scales [Breimann24a].

As a Tool, it implements the .run / .eval pipeline contract.

AAMut is CPP-agnostic: it quantifies how substituting one amino acid for another shifts each physicochemical scale value, independent of any sequence or prediction task. It is the residue-level building block of the protein-design module — the sequence-level, CPP-aware counterpart is SeqMut.

Added in version 1.0.0.

Parameters:

Methods

eval(df_impact)

Evaluate substitution impact by ranking scales on their mean substitution sensitivity.

run([from_aa, to_aa, scales])

Compute the signed per-scale impact of amino acid substitutions.
__init__(verbose=False, df_scales=None)[source]
Parameters:

  • verbose (bool, default=False) – If True, verbose outputs are enabled.

  • df_scales (pd.DataFrame, shape (n_letters, n_scales), optional) – DataFrame of amino acid scales (index = canonical amino acids, columns = scale ids). Default from load_scales().

See also

  • SeqMut for the sequence-level, CPP-guided mutation analysis.