OCDocker.Processing.Preprocessing package

Submodules

• OCDocker.Processing.Preprocessing.Prepare module
  • prepare()
• OCDocker.Processing.Preprocessing.RmsdClustering module
  • cluster_rmsd()
  • get_medoids()

Module contents

Preprocessing utilities for docking inputs.

Usage:

import OCDocker.Processing.Preprocessing as ocprep

Modules

• Prepare: Molecule preparation helpers.

• RmsdClustering: RMSD clustering helpers.