Index

A

ACTIVE_SITE_FLEXIBILITY_DIST_CUTOFF (in module binana.interactions.default_params)

B

binana module binana.fs module binana.interactions module binana.interactions.default_params module binana.load_ligand_receptor module

binana.output module binana.output.csv module binana.output.dictionary module binana.output.pdb_file module

C

CATION_PI_DIST_CUTOFF (in module binana.interactions.default_params) CLOSE_CONTACTS_DIST1_CUTOFF (in module binana.interactions.default_params) CLOSE_CONTACTS_DIST2_CUTOFF (in module binana.interactions.default_params)

collect() (in module binana.output.csv) (in module binana.output.dictionary) collect_all() (in module binana.output.dictionary)

E

ELECTROSTATIC_DIST_CUTOFF (in module binana.interactions.default_params)

F

from_files() (in module binana.load_ligand_receptor)

from_texts() (in module binana.load_ligand_receptor)

G

get_active_site_flexibility() (in module binana.interactions) get_all_interactions() (in module binana.interactions) get_cation_pi() (in module binana.interactions) get_close() (in module binana.interactions) get_closest() (in module binana.interactions) get_electrostatic_energies() (in module binana.interactions)

get_halogen_bonds() (in module binana.interactions) get_hydrogen_bonds() (in module binana.interactions) get_hydrophobics() (in module binana.interactions) get_ligand_atom_types() (in module binana.interactions) get_metal_coordinations() (in module binana.interactions) get_pi_pi() (in module binana.interactions) get_salt_bridges() (in module binana.interactions)

H

HALOGEN_BOND_DIST_CUTOFF (in module binana.interactions.default_params) HYDROGEN_BOND_DIST_CUTOFF (in module binana.interactions.default_params)

HYDROGEN_HALOGEN_BOND_ANGLE_CUTOFF (in module binana.interactions.default_params) HYDROPHOBIC_DIST_CUTOFF (in module binana.interactions.default_params)

L

load_file() (in module binana.fs)

ls() (in module binana.fs)

M

METAL_COORDINATION_DIST_CUTOFF (in module binana.interactions.default_params) module binana binana.fs binana.interactions binana.interactions.default_params binana.load_ligand_receptor binana.output binana.output.csv binana.output.dictionary binana.output.pdb_file

P

PI_PADDING_DIST (in module binana.interactions.default_params)

PI_PI_INTERACTING_DIST_CUTOFF (in module binana.interactions.default_params) PI_STACKING_ANGLE_TOLERANCE (in module binana.interactions.default_params)

R

run() (in module binana)

S

SALT_BRIDGE_DIST_CUTOFF (in module binana.interactions.default_params)

save_file() (in module binana.fs)

T

T_STACKING_ANGLE_TOLERANCE (in module binana.interactions.default_params)

T_STACKING_CLOSEST_DIST_CUTOFF (in module binana.interactions.default_params)

W

write() (in module binana.output.pdb_file)

write_all() (in module binana.output.pdb_file)