Open Drug Discovery Toolkit
0.1.7
oddt package
Open Drug Discovery Toolkit
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Index
A
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B
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C
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D
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F
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H
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I
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K
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L
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M
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N
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O
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P
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R
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S
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T
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U
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V
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W
A
acceptor_metal() (in module oddt.interactions)
addh() (oddt.toolkits.rdk.Molecule method)
angle() (in module oddt.spatial)
angle_2v() (in module oddt.spatial)
Atom (class in oddt.toolkits.rdk)
atom_dict (oddt.toolkits.rdk.Molecule attribute)
atomicnum (oddt.toolkits.rdk.Atom attribute)
atoms (oddt.toolkits.ob.Bond attribute)
(oddt.toolkits.ob.Residue attribute)
(oddt.toolkits.rdk.Molecule attribute)
AtomStack (class in oddt.toolkits.ob)
(class in oddt.toolkits.rdk)
B
base_feature_factory (in module oddt.toolkits.rdk)
Bond (class in oddt.toolkits.ob)
BondStack (class in oddt.toolkits.ob)
C
calcdesc() (oddt.toolkits.rdk.Molecule method)
calcfp() (oddt.toolkits.rdk.Molecule method)
canonic_order (oddt.toolkits.rdk.Molecule attribute)
charges (oddt.toolkits.rdk.Molecule attribute)
clear() (oddt.toolkits.rdk.MoleculeData method)
clone (oddt.toolkits.rdk.Molecule attribute)
clone_coords() (oddt.toolkits.rdk.Molecule method)
close() (oddt.toolkits.rdk.Outputfile method)
close_contacts() (in module oddt.interactions)
coords (oddt.toolkits.rdk.Atom attribute)
(oddt.toolkits.rdk.Molecule attribute)
D
data (oddt.toolkits.rdk.Molecule attribute)
descs (in module oddt.toolkits.rdk)
dihedral() (in module oddt.spatial)
distance() (in module oddt.spatial)
draw() (oddt.toolkits.rdk.Molecule method)
F
findall() (oddt.toolkits.rdk.Smarts method)
Fingerprint (class in oddt.toolkits.rdk)
forcefields (in module oddt.toolkits.rdk)
formalcharge (oddt.toolkits.rdk.Atom attribute)
formula (oddt.toolkits.rdk.Molecule attribute)
fps (in module oddt.toolkits.rdk)
H
halogenbond() (in module oddt.interactions)
halogenbond_acceptor_halogen() (in module oddt.interactions)
has_key() (oddt.toolkits.rdk.MoleculeData method)
hbond() (in module oddt.interactions)
hbond_acceptor_donor() (in module oddt.interactions)
hydrophobic_contacts() (in module oddt.interactions)
I
idx (oddt.toolkits.ob.Residue attribute)
(oddt.toolkits.rdk.Atom attribute)
informats (in module oddt.toolkits.rdk)
isrotor (oddt.toolkits.ob.Bond attribute)
items() (oddt.toolkits.rdk.MoleculeData method)
iteritems() (oddt.toolkits.rdk.MoleculeData method)
K
keys() (oddt.toolkits.rdk.MoleculeData method)
L
localopt() (oddt.toolkits.rdk.Molecule method)
M
make3D() (oddt.toolkits.rdk.Molecule method)
Mol (oddt.toolkits.rdk.Molecule attribute)
Molecule (class in oddt.toolkits.rdk)
MoleculeData (class in oddt.toolkits.rdk)
molwt (oddt.toolkits.rdk.Molecule attribute)
N
name (oddt.toolkits.ob.Residue attribute)
neighbors (oddt.toolkits.rdk.Atom attribute)
num_rotors (oddt.toolkits.rdk.Molecule attribute)
O
oddt (module)
oddt.interactions (module)
oddt.spatial (module)
oddt.toolkits (module)
oddt.toolkits.ob (module)
oddt.toolkits.rdk (module)
order (oddt.toolkits.ob.Bond attribute)
outformats (in module oddt.toolkits.rdk)
Outputfile (class in oddt.toolkits.rdk)
P
partialcharge (oddt.toolkits.rdk.Atom attribute)
pi_cation() (in module oddt.interactions)
pi_metal() (in module oddt.interactions)
pi_stacking() (in module oddt.interactions)
pickle_mol() (in module oddt.toolkits.ob)
R
raw (oddt.toolkits.rdk.Fingerprint attribute)
readfile() (in module oddt.toolkits.ob)
(in module oddt.toolkits.rdk)
readstring() (in module oddt.toolkits.rdk)
removeh() (oddt.toolkits.rdk.Molecule method)
res_dict (oddt.toolkits.rdk.Molecule attribute)
Residue (class in oddt.toolkits.ob)
ring_dict (oddt.toolkits.rdk.Molecule attribute)
S
salt_bridge_plus_minus() (in module oddt.interactions)
salt_bridges() (in module oddt.interactions)
Smarts (class in oddt.toolkits.rdk)
sssr (oddt.toolkits.rdk.Molecule attribute)
T
title (oddt.toolkits.rdk.Molecule attribute)
U
unpickle_mol() (in module oddt.toolkits.ob)
update() (oddt.toolkits.rdk.MoleculeData method)
V
values() (oddt.toolkits.rdk.MoleculeData method)
W
write() (oddt.toolkits.rdk.Molecule method)
(oddt.toolkits.rdk.Outputfile method)
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v: 0.1.7
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