stk.molecular package
Subpackages
- stk.molecular.atoms package
- Submodules
- Atom
Atom
- Atom Info
AtomInfo
- Elements
Ac
Ag
Al
Am
Ar
As
At
AtomImpl
Au
B
Ba
Be
Bh
Bi
Bk
Br
C
Ca
Cd
Ce
Cf
Cl
Cm
Cn
Co
Cr
Cs
Cu
Db
Ds
Dy
Er
Es
Eu
F
Fe
Fl
Fm
Fr
Ga
Gd
Ge
H
He
Hf
Hg
Ho
Hs
I
In
Ir
K
Kr
La
Li
Lr
Lu
Lv
Mc
Md
Mg
Mn
Mo
Mt
N
Na
Nb
Nd
Ne
Nh
Ni
No
Np
O
Og
Os
P
Pa
Pb
Pd
Pm
Po
Pr
Pt
Pu
Ra
Rb
Re
Rf
Rg
Rh
Rn
Ru
S
Sb
Sc
Se
Sg
Si
Sm
Sn
Sr
Ta
Tb
Tc
Te
Th
Ti
Tl
Tm
Ts
U
V
W
Xe
Y
Yb
Zn
Zr
- Submodules
- stk.molecular.bonds package
- stk.molecular.functional_groups package
- stk.molecular.key_makers package
- stk.molecular.molecules package
- Subpackages
- Submodules
- Building Block
BuildingBlock
BuildingBlock.__init__()
BuildingBlock.clone()
BuildingBlock.get_atomic_positions()
BuildingBlock.get_atoms()
BuildingBlock.get_bonds()
BuildingBlock.get_canonical_atom_ids()
BuildingBlock.get_centroid()
BuildingBlock.get_core_atom_ids()
BuildingBlock.get_direction()
BuildingBlock.get_functional_groups()
BuildingBlock.get_maximum_diameter()
BuildingBlock.get_num_atoms()
BuildingBlock.get_num_bonds()
BuildingBlock.get_num_functional_groups()
BuildingBlock.get_num_placers()
BuildingBlock.get_placer_ids()
BuildingBlock.get_plane_normal()
BuildingBlock.get_position_matrix()
BuildingBlock.init()
BuildingBlock.init_from_file()
BuildingBlock.init_from_molecule()
BuildingBlock.init_from_rdkit_mol()
BuildingBlock.init_from_vabene_molecule()
BuildingBlock.to_rdkit_mol()
BuildingBlock.with_canonical_atom_ordering()
BuildingBlock.with_centroid()
BuildingBlock.with_displacement()
BuildingBlock.with_functional_groups()
BuildingBlock.with_position_matrix()
BuildingBlock.with_rotation_about_axis()
BuildingBlock.with_rotation_between_vectors()
BuildingBlock.with_rotation_to_minimize_angle()
BuildingBlock.with_structure_from_file()
BuildingBlock.write()
- Constructed Molecule
ConstructedMolecule
ConstructedMolecule.__init__()
ConstructedMolecule.clone()
ConstructedMolecule.get_atom_infos()
ConstructedMolecule.get_atomic_positions()
ConstructedMolecule.get_atoms()
ConstructedMolecule.get_bond_infos()
ConstructedMolecule.get_bonds()
ConstructedMolecule.get_building_blocks()
ConstructedMolecule.get_canonical_atom_ids()
ConstructedMolecule.get_centroid()
ConstructedMolecule.get_direction()
ConstructedMolecule.get_maximum_diameter()
ConstructedMolecule.get_num_atoms()
ConstructedMolecule.get_num_bonds()
ConstructedMolecule.get_num_building_block()
ConstructedMolecule.get_plane_normal()
ConstructedMolecule.get_position_matrix()
ConstructedMolecule.init()
ConstructedMolecule.init_from_construction_result()
ConstructedMolecule.to_rdkit_mol()
ConstructedMolecule.with_canonical_atom_ordering()
ConstructedMolecule.with_centroid()
ConstructedMolecule.with_displacement()
ConstructedMolecule.with_position_matrix()
ConstructedMolecule.with_rotation_about_axis()
ConstructedMolecule.with_rotation_between_vectors()
ConstructedMolecule.with_rotation_to_minimize_angle()
ConstructedMolecule.with_structure_from_file()
ConstructedMolecule.write()
- Molecular Utilities
get_bond_atom_ids()
get_bond_info_atom_ids()
sort_bond_atoms_by_id()
- stk.molecular.reactions package
- stk.molecular.topology_graphs package
- Subpackages
- stk.molecular.topology_graphs.cage package
- stk.molecular.topology_graphs.cof package
- stk.molecular.topology_graphs.host_guest package
- stk.molecular.topology_graphs.macrocycle package
- stk.molecular.topology_graphs.metal_complex package
- stk.molecular.topology_graphs.polymer package
- stk.molecular.topology_graphs.rotaxane package
- stk.molecular.topology_graphs.topology_graph package
- stk.molecular.topology_graphs.utilities package
- Subpackages
- stk.molecular.writers package