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 Failed Dataset (data_out) type: dataset_out: Output dataset of failed calculations.Default: Failed Output for Receptor In DU Output Dataset (data_out) type: dataset_out: Output dataset of successful calculationsDefault: Output for Receptor In DU