Reaction & Reagent Database - Directory Listing¶
Category Paths
Follow one of these paths in the Orion user interface, to find the floe.
Role-based/Cheminformatician/Medicinal Chemistry Support
Role-based/Cheminformatician/Corporate Collection Support
Description
This floe will generate a Reaction & Reagent Directory listing from the provided Reaction & Reagent Database as a floe report.
As many of the other reaction floes use either the reaction name or a specific reagent name, the directory information can be used for reference and as a source to copy and paste valid identifiers for use in other floes.
Promoted Parameters
Title in user interface (promoted name)
Advanced Options
Allow Functional Group Conversions (funcgroups): If ON, counts functional group transform reagents in the reagent totals
Type: boolean
Default: False
Choices: [True, False]
Export Directory as CSV File Resource (out_csv_file): Output the Reaction & Reagent Directory listing as a CSV file as well as a floe report.
Type: file_out
Reaction & Reagent Database Memory Limit (rxndir_memory): The memory limit in effect for generating the directory floe report. It may need to be increased for large R&R Databases.
Required
Type: decimal
Default: 10128
Output Logging Verbosity (verbosity): Controls the logging verbosity level.
Type: string
Choices: [‘info’, ‘warning’, ‘error’, ‘debug’, ‘ddebug’]