Receptor In DU

Category Paths

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

  • Product-based/OEDocking

  • Solution-based/Virtual-screening/Target Preparation

  • Task-based/Target Prep & Analysis

  • Role-based/Computational Chemist

  • Solution-based/Hit to Lead/Target Preparation

Description

This floe creates a docking receptor in an input OEDesignUnit.

Input for this floe is a dataset with OEDesignUnit and outputs contain the same OEDesignUnit with the generated receptors.

Titles of required parameters (promoted names)

  • Input Dataset (data_in) type: data_source: Dataset containing DU to create receptor
  • Output Dataset (data_out) type: dataset_out: Output dataset of successful calculations
    Default: Output for Receptor In DU
  • Failed Dataset (data_out) type: dataset_out: Output dataset of failed calculations.
    Default: Failed Output for Receptor In DU