Reaction & Reagent Database - Half Reaction Generator

Category Paths

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

• Role-based/Cheminformatician/Medicinal Chemistry Support

Description

This flow generates half-reactions for reactions specified in an input reaction definition file.

Promoted Parameters

Title in user interface (promoted name)

Inputs

Reaction Definition (rxndef): The name of a file resource containing the reaction definitions.

• Required

• Type: file_in

Outputs

Reaction Definition Output (rxndefout): An optional file resource name to capture the updated reaction definition file output.

• Type: file_out

Generation Options

Generation Mode (genmode):

Requested mode for generating half-reactions, that is, All or Unspecified. Unspecified will attempt to automatically generate half-reactions for any reactions that do not already have explicitly provided versions, and All will regenerate all of the half-reactions, regardless of existing specifications in the reaction definition file.

• Type: string

• Default: Unspecified

• Choices: [‘All’, ‘Unspecified’]