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Glide Grid Generation

SchrödingerDocking and Scoring
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Generates a Glide Grid from receptors or complexes. The node takes in 3 basic arguments, two of them (Center and Size) that can be specified either manually or by a Ligand. If a Ligand is needed in either of these arguments (Choose "Center of ligand" under Center, or "Ligand" under Size), then the Ligand needs to be specified (using the "Specify Ligand by" ComboBox). The third argument HBond Constraints can be specified by a string.

Backend implementation

utilities/generate_glide_grids
generate_glide_grids under utilities is used to implement this node.

Node details

Input ports
  1. Type: Table
    Receptor or complexes in Maestro Format
    Receptor or complex(es) in Maestro Format
Output ports
  1. Type: Table
    Glide Grid
    Glide Grid

Extension

The Glide Grid Generation node is part of this extension:

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