spyrmsd
master
Contents:
Installation
Tutorial
API
spyrmsd
Index
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Index
A
|
B
|
C
|
D
|
F
|
G
|
H
|
I
|
K
|
L
|
M
|
N
|
O
|
Q
|
R
|
S
|
T
|
U
|
V
A
activate() (spyrmsd.due.InactiveDueCreditCollector method)
active (spyrmsd.due.InactiveDueCreditCollector attribute)
add() (spyrmsd.due.InactiveDueCreditCollector method)
adjacency_matrix() (in module spyrmsd.io)
(in module spyrmsd.optional.obabel)
(in module spyrmsd.optional.rdkit)
adjacency_matrix_from_atomic_coordinates() (in module spyrmsd.graph)
B
BibTeX() (in module spyrmsd.due)
bonds() (in module spyrmsd.io)
(in module spyrmsd.optional.obabel)
(in module spyrmsd.optional.rdkit)
C
center() (in module spyrmsd.utils)
center_of_geometry() (in module spyrmsd.utils)
(spyrmsd.molecule.Molecule method)
center_of_mass() (spyrmsd.molecule.Molecule method)
cite() (spyrmsd.due.InactiveDueCreditCollector method)
coefficients() (in module spyrmsd.qcp)
coords_from_molecule() (in module spyrmsd.molecule)
cost_mtx() (in module spyrmsd.hungarian)
cycle() (in module spyrmsd.graphs.gt)
(in module spyrmsd.graphs.nx)
D
dcite() (spyrmsd.due.InactiveDueCreditCollector method)
deg_to_rad() (in module spyrmsd.utils)
Doi() (in module spyrmsd.due)
dump() (spyrmsd.due.InactiveDueCreditCollector method)
F
format() (in module spyrmsd.utils)
from_obabel() (spyrmsd.molecule.Molecule class method)
from_rdkit() (spyrmsd.molecule.Molecule class method)
G
graph_from_adjacency_matrix() (in module spyrmsd.graphs.gt)
(in module spyrmsd.graphs.nx)
H
hrmsd() (in module spyrmsd.rmsd)
hungarian_rmsd() (in module spyrmsd.hungarian)
I
InactiveDueCreditCollector (class in spyrmsd.due)
K
K_mtx() (in module spyrmsd.qcp)
L
lambda_max() (in module spyrmsd.qcp)
lattice() (in module spyrmsd.graphs.gt)
(in module spyrmsd.graphs.nx)
load() (in module spyrmsd.io)
(in module spyrmsd.optional.obabel)
(in module spyrmsd.optional.rdkit)
(spyrmsd.due.InactiveDueCreditCollector method)
loadall() (in module spyrmsd.io)
(in module spyrmsd.optional.obabel)
(in module spyrmsd.optional.rdkit)
M
M_mtx() (in module spyrmsd.qcp)
match_graphs() (in module spyrmsd.graphs.gt)
(in module spyrmsd.graphs.nx)
module
spyrmsd
spyrmsd.constants
spyrmsd.due
spyrmsd.exceptions
spyrmsd.graph
spyrmsd.graphs
spyrmsd.graphs.gt
spyrmsd.graphs.nx
spyrmsd.hungarian
spyrmsd.io
spyrmsd.molecule
spyrmsd.optional
spyrmsd.optional.obabel
spyrmsd.optional.rdkit
spyrmsd.qcp
spyrmsd.rmsd
spyrmsd.utils
Molecule (class in spyrmsd.molecule)
molformat() (in module spyrmsd.utils)
N
NonIsomorphicGraphs
num_edges() (in module spyrmsd.graphs.gt)
(in module spyrmsd.graphs.nx)
num_vertices() (in module spyrmsd.graphs.gt)
(in module spyrmsd.graphs.nx)
numatoms() (in module spyrmsd.io)
(in module spyrmsd.optional.obabel)
(in module spyrmsd.optional.rdkit)
numbonds() (in module spyrmsd.io)
(in module spyrmsd.optional.obabel)
(in module spyrmsd.optional.rdkit)
O
optimal_assignment() (in module spyrmsd.hungarian)
Q
qcp_rmsd() (in module spyrmsd.qcp)
R
rmsd() (in module spyrmsd.rmsd)
rmsdwrapper() (in module spyrmsd.rmsd)
rotate() (in module spyrmsd.utils)
(spyrmsd.molecule.Molecule method)
S
spyrmsd
module
spyrmsd.constants
module
spyrmsd.due
module
spyrmsd.exceptions
module
spyrmsd.graph
module
spyrmsd.graphs
module
spyrmsd.graphs.gt
module
spyrmsd.graphs.nx
module
spyrmsd.hungarian
module
spyrmsd.io
module
spyrmsd.molecule
module
spyrmsd.optional
module
spyrmsd.optional.obabel
module
spyrmsd.optional.rdkit
module
spyrmsd.qcp
module
spyrmsd.rmsd
module
spyrmsd.utils
module
strip() (spyrmsd.molecule.Molecule method)
symmrmsd() (in module spyrmsd.rmsd)
T
Text() (in module spyrmsd.due)
to_graph() (spyrmsd.molecule.Molecule method)
to_molecule() (in module spyrmsd.io)
(in module spyrmsd.optional.obabel)
(in module spyrmsd.optional.rdkit)
translate() (spyrmsd.molecule.Molecule method)
U
Url() (in module spyrmsd.due)
V
vertex_property() (in module spyrmsd.graphs.gt)
(in module spyrmsd.graphs.nx)
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