drugforge.modeling.modeling.get_oe_structure_metadata_from_sequence

drugforge.modeling.modeling.get_oe_structure_metadata_from_sequence(initial_prot, protein_sequence)[source]

Add sequence to structure metadata

Parameters:

  • initial_prot (oechem.OEGraphMol) – The input protein structure to be prepared.

  • protein_sequence (str) – The protein sequence to be added to the metadata

Returns:

metadata – The metadata object with the sequence added.

Return type:

oespruce.OEStructureMetadata