SiteHopper Search

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

• Product-based/SiteHopper

• Role-based/Computational Chemist

• Task-based/Target Prep & Analysis/Protein Similarity Search

• Solution-based/Small Molecule Lead-opt/3D Similarity

Description

This floe searches SiteHopper database(s) using an OEDesignUnit from a dataset as the query.

Promoted Parameters

Title in user interface (promoted name)

Inputs

Query dataset (data_in): Only a dataset with record as query is supported. If you supply a dataset with more than one record, or one record with more than one DU, the floe will fail.

• Required

• Type: data_source

Input Collections (collection): Collections to emit shards from

• Required

• Type: collection_source

Outputs

Output Dataset (data_out): Output dataset to write to

• Required

• Type: dataset_out

• Default: SiteHopper Search Hits

Collection Name (collection_name): Name of the collection to create

• Required

• Type: collection_sink

Search Parameters

Max Sequence Similarity (Max Sequence Similarity): The max sequence similarity percentage should be adjusted down ifresults from more diverse protein targets are desired

• Type: decimal

• Default: 100.0

Number of Hits (num_hits): Number of best-scoring DUs to keep. If this number is increased, the memory of the cube may need to be increased as well

• Required

• Type: integer

• Default: 1000