Collection Info

Category Paths

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

• Product-based/FastROCS

• Product-based/Gigadock

• Role-based/Computational Chemist

• Solution-based/Virtual-screening/DB Search

• Task-based/Data Science

Description

This floe creates a Floe Report describing the contents of a collection of molecules or OERecords.

Promoted Parameters

Title in user interface (promoted name)

Inputs

Input Collection (input_collection): Collection to gather info on. This parameter is required unless Input Dataset is specified.

• Type: collection_source

Inputs: Alternate

Input Dataset (input_dataset): Dataset to gather info on.

• Type: data_source

Input File (input_file): File to gather info on.

• Type: file_in

Input Fields

Molecule Field (Optional) (molecule_field_optional): Specifies the molecule field used to compute molecular properties. The default is the primary molecule field.

• Type: field_parameter::mol

FastROCS OEZ (fastrocs_oez): Assume that OEZ shards are newer fastROCS shards, which store additional data on the molecules generic data, rather than SD data.If this flag is True SD data from OEZ shards will not be moved to the OEMolRecord, but generic data will. For False the reverse is true.

• Type: boolean

• Default: False

• Choices: [True, False]