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Ligand Preparation
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The ligand preparation module enables you to prepare the input file to be used by PharmScreen by minimizing the input structures, generating a set of conformations for each of them or calculating molecule parameters such as partial charges or atomic contributions to LogP.

Node details

Input ports
  1. Type: Table
    Molecule library
    The molecule library to be processed.
Output ports
  1. Type: Table
    Processed molecules
    Table with the read molecules.

Extension

The Ligand Preparation node is part of this extension: