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

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, e.g.: All, 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’]