Module interactions


Classes

CationPiInteraction
Centroid
PiPiInteraction

Functions

cation_coordinates
compute_catpi
find_aromatic_atoms
find_centroid
find_pi_cation_interactions
find_pi_pi_interactions
gather_rings
get_broken_residues
get_receptor_positive_centroids
make_nested_list
protein_dictionary
ring_centroid
squared_centroid_distance
type_ligand_cations
type_ligand_fully
type_receptor_cations
type_receptor_fully
type_untyped_residue_cations
type_untyped_residues_fully

Variables

ACCEPTORS
ALIPHATIC_FLUORINES
AMIDINE
AROMATICS
AROMATIC_FLUORINES
DONORS
GEMINAL_FLUORINES
HYDROGENS
HYDROPHOBES
IMIDAZOLE
METALS
MISC
NEGATIVES
POLAR_CARBONS
POSITIVES
SPECIAL
UNKNOWN_RESIDUE_SKIP_LIST
__doc__
__package__
features_list
receptor_atom_flags
templates

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