schrodinger.application.livedesign.import_utils module

schrodinger.application.livedesign.import_utils.cache_entity_IDs(sts, ld_id_dict)

Store the corporate ID (AKA the entity ID) as a structure property for each imported structure

  • sts (list(structure.Structure)) – List of structures to set properties for

  • ld_id_dict (Dict[Structure, str]) – Live Design structure to entity ID dictionary

schrodinger.application.livedesign.import_utils.get_st_entity_id_map(ld_client, sts, lr_id)

Generate a dictionary mapping each compound’s structure to its entity id for easier access.

For LD versions >= 8.1: Every structure holds multiple LD IDs, out of which, one is the entity ID. We use the live report metadata to obtain the correct ID.

  • ld_client (LDClient) – LiveReport client

  • sts (structure.Structure) – structures to get map for

  • lr_id (str) – the live report id


dictionary mapping structure to entitiy id

Return type

dict(structure.Structure, str)