pyKVFinder
0.6
Installation
Requirements
Installation
Tutorial
Cavity detection and characterization
Molecular volume
Examples
API Reference
Functions
Classes
Command-line interface
Positional arguments
Optional arguments
Configuration files
vdW radii
Custom grid
Hydrophobicity scale
About
Issues
Scientific team
Citing pyKVFinder
Funding
License
pyKVFinder
Index
Index
_
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A
|
C
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D
|
E
|
F
|
G
|
H
|
M
|
N
|
O
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P
|
R
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S
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V
|
W
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X
_
_atomic (pyKVFinder.Molecule attribute)
_dim (pyKVFinder.Molecule attribute)
_grid (pyKVFinder.Molecule attribute)
_input (pyKVFinder.pyKVFinderResults attribute)
_ligand (pyKVFinder.pyKVFinderResults attribute)
_molecule (pyKVFinder.Molecule attribute)
_padding (pyKVFinder.Molecule attribute)
_probe (pyKVFinder.Molecule attribute)
_radii (pyKVFinder.Molecule attribute)
_representation (pyKVFinder.Molecule attribute)
_rotation (pyKVFinder.Molecule attribute)
_step (pyKVFinder.Molecule attribute)
(pyKVFinder.pyKVFinderResults attribute)
_vertices (pyKVFinder.Molecule attribute)
(pyKVFinder.pyKVFinderResults attribute)
A
area (pyKVFinder.pyKVFinderResults attribute)
atomic (pyKVFinder.Molecule property)
avg_depth (pyKVFinder.pyKVFinderResults attribute)
avg_hydropathy (pyKVFinder.pyKVFinderResults attribute)
C
calculate_frequencies() (in module pyKVFinder)
cavities (pyKVFinder.pyKVFinderResults attribute)
constitutional() (in module pyKVFinder)
D
depth() (in module pyKVFinder)
depths (pyKVFinder.pyKVFinderResults attribute)
detect() (in module pyKVFinder)
dim (pyKVFinder.Molecule property)
E
export() (in module pyKVFinder)
(pyKVFinder.Molecule method)
(pyKVFinder.pyKVFinderResults method)
export_all() (pyKVFinder.pyKVFinderResults method)
export_openings() (in module pyKVFinder)
F
frequencies (pyKVFinder.pyKVFinderResults attribute)
G
get_vertices() (in module pyKVFinder)
get_vertices_from_file() (in module pyKVFinder)
grid (pyKVFinder.Molecule property)
H
hydropathy() (in module pyKVFinder)
M
max_depth (pyKVFinder.pyKVFinderResults attribute)
Molecule (class in pyKVFinder)
molecule (pyKVFinder.Molecule property)
N
ncav (pyKVFinder.pyKVFinderResults attribute)
nthreads (pyKVFinder.Molecule attribute)
nx (pyKVFinder.Molecule property)
ny (pyKVFinder.Molecule property)
nz (pyKVFinder.Molecule property)
O
openings() (in module pyKVFinder)
P
p1 (pyKVFinder.Molecule property)
p2 (pyKVFinder.Molecule property)
p3 (pyKVFinder.Molecule property)
p4 (pyKVFinder.Molecule property)
padding (pyKVFinder.Molecule property)
plot_frequencies() (in module pyKVFinder)
(pyKVFinder.pyKVFinderResults method)
preview() (pyKVFinder.Molecule method)
probe (pyKVFinder.Molecule property)
pyKVFinderResults (class in pyKVFinder)
R
radii (pyKVFinder.Molecule property)
read_cavity() (in module pyKVFinder)
read_pdb() (in module pyKVFinder)
read_vdw() (in module pyKVFinder)
read_xyz() (in module pyKVFinder)
representation (pyKVFinder.Molecule property)
residues (pyKVFinder.pyKVFinderResults attribute)
rotation (pyKVFinder.Molecule property)
run_workflow() (in module pyKVFinder)
S
scales (pyKVFinder.pyKVFinderResults attribute)
spatial() (in module pyKVFinder)
step (pyKVFinder.Molecule property)
surface (pyKVFinder.pyKVFinderResults attribute)
surface() (pyKVFinder.Molecule method)
V
vdw() (pyKVFinder.Molecule method)
verbose (pyKVFinder.Molecule attribute)
vertices (pyKVFinder.Molecule property)
volume (pyKVFinder.pyKVFinderResults attribute)
volume() (pyKVFinder.Molecule method)
W
write() (pyKVFinder.pyKVFinderResults method)
write_results() (in module pyKVFinder)
X
xyzr (pyKVFinder.Molecule property)