ConservedWaterSearch

• Water Clustering
  • WaterClustering
    • WaterClustering.__init__()
    • WaterClustering.run()
    • WaterClustering.multi_stage_reclustering()
    • WaterClustering.quick_multi_stage_reclustering()
    • WaterClustering.single_clustering()
    • WaterClustering.save_results()
    • WaterClustering.restart_cluster()
    • WaterClustering.read_and_set_water_clust_options()
    • WaterClustering.create_from_file()
    • WaterClustering.create_from_files_and_restart()
    • WaterClustering.visualise_pymol()
    • WaterClustering.visualise_nglview()
    • WaterClustering.water_type
    • WaterClustering.waterO
    • WaterClustering.waterH1
    • WaterClustering.waterH2
    • WaterClustering.water_clusters
• Utilities
  • get_orientations_from_positions()
  • read_results()
  • visualise_nglview()
  • visualise_pymol()
  • visualise_pymol_from_pdb()
• Hydrogen Orientation Analysis
  • hydrogen_orientation_analysis()
  • find_fully_conserved_orientations()
  • find_half_conserved_orientations()
  • find_weakly_conserved_orientations()