schrodinger.livedesign.sh_utils module

schrodinger.livedesign.sh_utils.generate_sh(st: schrodinger.structure._structure.Structure, structure_scheme: str) → str

Generate the structure hierarchy for the given structure.

Parameters

• st – structure to generate the hierarchy for.

• structure_scheme – antibody structure scheme.

Returns

JSON string representing the structure hierarchy.

schrodinger.livedesign.sh_utils.get_json_formatted_structure_hierarchy(mol_input: str, input_format: schrodinger.rdkit_extensions.Format, structure_schemes: List[str]) → str

Generates a JSON string representing the structure hierarchy of the molecule. This is used by LiveDesign to display the structure hierarchy viewer for the molecule and its components.

Note that this only process the first structure in the given string.

Parameters

• mol_input – serialized mol

• input_format – input format of the mol string

• structure_schemes – List of antibody structure schemes to generate structure hierarchy for.

Returns

JSON string representing the structure hierarchy along with the scheme used.