Index

_

__init__() (ConservedWaterSearch.water_clustering.WaterClustering method)

C

ConservedWaterSearch.hydrogen_orientation module ConservedWaterSearch.utils module

create_from_file() (ConservedWaterSearch.water_clustering.WaterClustering class method) create_from_files_and_restart() (ConservedWaterSearch.water_clustering.WaterClustering class method)

F

find_fully_conserved_orientations() (in module ConservedWaterSearch.hydrogen_orientation)

find_half_conserved_orientations() (in module ConservedWaterSearch.hydrogen_orientation) find_weakly_conserved_orientations() (in module ConservedWaterSearch.hydrogen_orientation)

G

get_orientations_from_positions() (in module ConservedWaterSearch.utils)

H

hydrogen_orientation_analysis() (in module ConservedWaterSearch.hydrogen_orientation)

M

module ConservedWaterSearch.hydrogen_orientation ConservedWaterSearch.utils

multi_stage_reclustering() (ConservedWaterSearch.water_clustering.WaterClustering method)

Q

quick_multi_stage_reclustering() (ConservedWaterSearch.water_clustering.WaterClustering method)

R

read_and_set_water_clust_options() (ConservedWaterSearch.water_clustering.WaterClustering method) read_results() (in module ConservedWaterSearch.utils)

restart_cluster() (ConservedWaterSearch.water_clustering.WaterClustering method) run() (ConservedWaterSearch.water_clustering.WaterClustering method)

S

save_results() (ConservedWaterSearch.water_clustering.WaterClustering method)

single_clustering() (ConservedWaterSearch.water_clustering.WaterClustering method)

V

visualise_nglview() (ConservedWaterSearch.water_clustering.WaterClustering method) (in module ConservedWaterSearch.utils)

visualise_pymol() (ConservedWaterSearch.water_clustering.WaterClustering method) (in module ConservedWaterSearch.utils) visualise_pymol_from_pdb() (in module ConservedWaterSearch.utils)

W

water_clusters (ConservedWaterSearch.water_clustering.WaterClustering property) water_type (ConservedWaterSearch.water_clustering.WaterClustering property) WaterClustering (class in ConservedWaterSearch.water_clustering)

waterH1 (ConservedWaterSearch.water_clustering.WaterClustering property) waterH2 (ConservedWaterSearch.water_clustering.WaterClustering property) waterO (ConservedWaterSearch.water_clustering.WaterClustering property)