pytoda.proteins.utils module

Summary

Functions:

aas_to_smiles

Converts an amino acid sequence (IUPAC) into SMILES.

Reference

aas_to_smiles(aas, sanitize=True)[source]

Converts an amino acid sequence (IUPAC) into SMILES.

Parameters

  • aas (str) – The amino acid sequence to be converted. Following IUPAC notation.

  • sanitize (bool, optional) – [description]. Defaults to True.

Raises

  • TypeError – If aas is not a string.

  • ValueError – If string cannot be converted to mol.

Returns

SMILES string of the AA sequence.

Return type

smiles