WatCon
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WatCon
  • WatCon Package
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WatCon package

Subpackages

  • WatCon.tests package
    • Submodules
      • WatCon.tests.test_WatCon module
    • Module contents

Submodules

  • WatCon.WatCon module
    • check_conditions()
    • parse_analysis()
    • parse_arguments()
    • parse_inputs()
    • run_watcon()
    • run_watcon_postanalysis()
  • WatCon.find_conserved_networks module
    • cluster_coordinates_only()
    • cluster_nodes()
    • collect_coordinates()
    • combine_graphs()
    • create_clustered_network()
    • find_clusters_from_densities()
    • find_commonality()
    • get_coordinates_from_pdb()
    • get_coordinates_from_topology()
    • identify_clustered_angles()
    • identify_conserved_water_clusters()
    • identify_conserved_water_interactions_clustering()
    • plot_commonality()
  • WatCon.generate_dynamic_networks module
  • WatCon.generate_static_networks module
  • WatCon.residue_analysis module
    • classify_waters()
    • get_all_water_distances()
    • get_interaction_counts()
    • get_per_residue_interactions()
    • histogram_metrics()
    • plot_interactions_from_angles()
    • plot_residue_interactions()
  • WatCon.sequence_processing module
  • WatCon.visualize_structures module
    • export_graph_to_pdb()
    • plot_consevation_angles()
    • project_clusters()
    • pymol_project_oxygen_network()
    • save_xyz()

Module contents

Water network analysis tool for crystal structure and MD simulation data

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© Copyright 2025, Alfie-Louise Brownless & Shina Caroline Lynn Kamerlin. Project structure based on the Computational Molecular Science Python Cookiecutter version 1.10.

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