Make SiteHopper Patch Database in SHDB format¶
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 generates a SiteHopper patch database collection based on a collection of OEDesignUnits.
Promoted Parameters
Title in user interface (promoted name)
Inputs
Input Dataset (data_in): The dataset(s) to read records from
Type: data_source
Input Collections (collection): Collections to emit shards from
Type: collection_source
Outputs
Failed output dataset (data_out): Output dataset to write to
Required
Type: dataset_out
Default: Failed Patch Dataset
Collection Name (sitehopper_patch_collection): Name of the collection to create
Required
Type: collection_sink
Default: SiteHopper Patch DB Collection