schrodinger.protein.seqres module¶
Functions for getting and setting SEQRES data on a structure.
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schrodinger.protein.seqres.
get_seqres
(st)¶ Read in all SEQRES data from the structure.
Parameters: st (schrodinger.structure.Structure) – The structure to read SEQRES data from Returns: A dictionary of {chain name: list of residue names} (ordered identically to the SEQRES data in the Structure
) or None if there’s no SEQRES information present in the structure. Note that the lists of residue names uses a OneIndexedList since the i_pdb_seqres_index residue property values assume a starting index of one.Return type: dict(str, OneIndexedList[str]) or NoneType
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schrodinger.protein.seqres.
set_seqres
(st, seqres)¶ Add SEQRES data to a structure. Any SEQRES data that was previously present in the structure will be overwritten.
Parameters: - st (schrodinger.structure.Structure) – The structure to add SEQRES data to.
- seqres (dict(str, list[str]) or None) – A dictionary of {chain name: list of residue names}. May be None or an empty dictionary to clear SEQRES data.
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schrodinger.protein.seqres.
has_seqres
(st)¶ Determine if a structure contains SEQRES data.
Parameters: st (schrodinger.structure.Structure) – The structure to read SEQRES data from. Returns: Whether the structure contains SEQRES data. Return type: bool