LUNA
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Overview of LUNA
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LUNA API
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E
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F
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Q
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W
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Z
A
accept_atom() (AtomSelector method)
(ChainSelector method)
(ResidueSelector method)
(ResidueSelectorBySeqNum method)
(Selector method)
accept_chain() (ChainSelector method)
accept_residue() (ChainSelector method)
(ResidueSelector method)
(ResidueSelectorBySeqNum method)
add_atm_grps() (AtomGroupsManager method)
(ExtendedAtom method)
add_color() (ColorPallete method)
add_features() (AtomGroup method)
add_interactions() (AtomGroup method)
(InteractionsManager method)
add_nb_info() (ExtendedAtom method)
add_pseudoatom() (PymolWrapper method)
add_shell() (ShellManager method)
align() (PymolWrapper method)
align_structures() (in module luna.align.tmalign)
alphanumcase() (in module luna.util.stringcase)
alter() (PymolWrapper method)
append() (ProgressResult method)
apply_filter() (AtomGroupsManager method)
ArgsGenerator (class in luna.util.jobs)
AROMATIC (BondType attribute)
(OBBondType attribute)
arrow() (PymolWrapper method)
as_json() (AtomGroup method)
(ExtendedAtom method)
(InteractionType method)
as_openbabel() (MolWrapper method)
as_rdkit() (MolWrapper method)
assign_bond_order() (LigandExpoTemplate method)
(Template method)
atm_grps (AtomGroupsManager property)
(ExtendedAtom property)
atm_grps_mngrs (Project property)
atm_obj (AtomWrapper property)
atom (ExtendedAtom property)
atom_pairs_fp() (FingerprintGenerator method)
AtomData (class in luna.mol.atom)
AtomGroup (class in luna.mol.groups)
AtomGroupNeighborhood (class in luna.mol.groups)
AtomGroupPerceiver (class in luna.mol.groups)
AtomGroupsManager (class in luna.mol.groups)
atoms (AtomGroup property)
AtomSelector (class in luna.MyBio.selector)
AtomWrapper (class in luna.wrappers.base)
available_fp_functions() (in module luna.mol.fingerprint)
available_similarity_functions() (in module luna.mol.clustering)
avg_running_time (ProgressTracker property)
B
backslashcase() (in module luna.util.stringcase)
BindingModeCondition (class in luna.interaction.filter)
BindingModeFilter (class in luna.interaction.filter)
biopython_entity_to_mol() (in module luna.MyBio.util)
bit_count (Fingerprint property)
bond_obj (BondWrapper property)
BondType (class in luna.wrappers.base)
BondWrapper (class in luna.wrappers.base)
C
calc_amide_pi() (InteractionCalculator static method)
calc_atom_atom() (InteractionCalculator static method)
calc_cation_pi() (InteractionCalculator static method)
calc_chalc_bond() (InteractionCalculator static method)
calc_chalc_bond_pi() (InteractionCalculator static method)
calc_distance_matrix() (in module luna.mol.clustering)
calc_hbond() (InteractionCalculator static method)
calc_hbond_pi() (InteractionCalculator static method)
calc_hydrop() (InteractionCalculator static method)
calc_interactions() (InteractionCalculator method)
calc_ion_multipole() (InteractionCalculator static method)
calc_ionic() (InteractionCalculator static method)
calc_multipolar() (InteractionCalculator static method)
calc_pi_pi() (InteractionCalculator static method)
calc_proximal() (InteractionCalculator static method)
calc_repulsive() (InteractionCalculator static method)
calc_similarity() (Fingerprint method)
calc_weak_hbond() (InteractionCalculator static method)
calc_xbond() (InteractionCalculator static method)
calc_xbond_pi() (InteractionCalculator static method)
camelcase() (in module luna.util.stringcase)
capitalcase() (in module luna.util.stringcase)
center() (PymolWrapper method)
centroid (AtomGroup property)
chain_id (Entry property)
ChainEntry (class in luna.mol.entry)
ChainSelector (class in luna.MyBio.selector)
ChargeModel (class in luna.mol.charge_model)
ChemicalFeature (class in luna.mol.features)
,
[1]
child_dict (AtomGroupsManager property)
clear_refs() (AtomGroup method)
(InteractionType method)
cluster_fps() (in module luna.mol.clustering)
color() (PymolWrapper method)
color_by_element() (PymolWrapper method)
ColorPallete (class in luna.util)
comp_icode (Entry property)
comp_name (Entry property)
comp_num (Entry property)
CompoundClassIds (class in luna.interaction.fp.shell)
compounds (AtomGroup property)
Config (class in luna.util.config)
constcase() (in module luna.util.stringcase)
contain_group() (AtomGroup method)
convert_molecule() (in module luna.wrappers.obabel)
coord (AtomData property)
coords (AtomGroup property)
count_interaction_types() (in module luna.analysis.summary)
count_interations() (InteractionsManager method)
CountFingerprint (class in luna.interaction.fp.fingerprint)
counts (CountFingerprint property)
(Fingerprint property)
create() (PymolWrapper method)
create_directory() (in module luna.util.file)
create_shells() (ShellGenerator method)
CYM (ResidueStandard attribute)
CYS (ResidueStandard attribute)
D
data (LigandExpoTemplate property)
DATIVE (BondType attribute)
DATIVEL (BondType attribute)
DATIVEONE (BondType attribute)
DATIVER (BondType attribute)
DefaultInteractionConfig (class in luna.interaction.config)
delete() (PymolWrapper method)
density (Fingerprint property)
detect_compression_format() (in module luna.util.file)
difference() (Fingerprint method)
distance() (PymolWrapper method)
dotcase() (in module luna.util.stringcase)
DOUBLE (BondType attribute)
(OBBondType attribute)
download_pdb() (in module luna.MyBio.util)
E
EIFP (IFPType attribute)
electronegativity (ExtendedAtom property)
encoded_data (Shell property)
end() (ProgressTracker method)
entity (Extractor property)
entity_to_string() (in module luna.MyBio.util)
Entry (class in luna.mol.entry)
EntryResults (class in luna.projects)
errors (ProgressResult property)
ExtendedAtom (class in luna.mol.atom)
extract() (PymolWrapper method)
extract_chain_from_sup() (in module luna.align.tmalign)
extract_chains() (Extractor method)
extract_residues() (Extractor method)
Extractor (class in luna.MyBio.extractor)
F
feature_names (AtomGroup property)
FeatureExtractor (class in luna.mol.features)
,
[1]
features (AtomGroup property)
FIFP (IFPType attribute)
filter_by_types() (AtomGroupsManager method)
(InteractionsManager method)
filter_out_by_binding_mode() (InteractionsManager method)
find_atm_grp() (AtomGroupsManager method)
find_dependent_interactions() (InteractionCalculator method)
find_similar_shell() (ShellManager method)
Fingerprint (class in luna.interaction.fp.fingerprint)
FingerprintGenerator (class in luna.mol.fingerprint)
finish_session() (PymolSessionManager method)
FIVEANDAHALF (BondType attribute)
fold() (CountFingerprint method)
(Fingerprint method)
format_name() (ChemicalFeature method)
,
[1]
FOURANDAHALF (BondType attribute)
fp_length (Fingerprint property)
from_bit_string() (CountFingerprint class method)
(Fingerprint class method)
from_config_file() (BindingModeFilter class method)
from_counts() (CountFingerprint class method)
from_file() (MolEntry class method)
(MolFileEntry class method)
from_fingerprint() (CountFingerprint class method)
(Fingerprint class method)
from_indices() (CountFingerprint class method)
(Fingerprint class method)
from_mol_block() (MolWrapper class method)
from_mol_file() (MolFileEntry class method)
from_mol_obj() (MolFileEntry class method)
from_rdkit() (Fingerprint class method)
from_smiles() (MolWrapper class method)
from_string() (ChainEntry class method)
(Entry class method)
(MolEntry class method)
from_vector() (CountFingerprint class method)
(Fingerprint class method)
full_atom_name (ExtendedAtom property)
full_id (ChainEntry property)
(Entry property)
(ExtendedAtom property)
(MolFileEntry property)
func_call_to_str() (in module luna.util)
funcs (InteractionCalculator property)
G
generate_fp_for_mols() (in module luna.mol.fingerprint)
generate_ifps() (LocalProject method)
generate_json_file() (in module luna.util.file)
generate_residue_matrix() (in module luna.analysis.residues)
generic_splitext() (in module luna.util.file)
get_all_atm_grps() (InteractionsManager method)
get_all_contacts() (in module luna.interaction.contact)
get_all_interactions() (AtomGroupsManager method)
get_atom_coord_by_id() (MolWrapper method)
get_atom_names_by_id() (in module luna.wrappers.cif)
get_atomic_invariants() (AtomWrapper method)
get_atomic_mass() (AtomWrapper method)
get_atomic_num() (AtomWrapper method)
get_atoms() (MolWrapper method)
get_begin_atom() (BondWrapper method)
get_biopython_key() (Entry method)
get_biopython_structure() (MolFileEntry method)
get_bit() (Fingerprint method)
get_bond_type() (BondWrapper method)
get_bonds() (AtomWrapper method)
(MolWrapper method)
get_chains() (AtomGroup method)
get_charge() (AtomWrapper method)
(ChargeModel method)
(OpenEyeModel method)
get_cmd() (PymolWrapper method)
get_color() (ColorPallete method)
get_contacts_with() (in module luna.interaction.contact)
get_coords() (PymolWrapper method)
get_count() (CountFingerprint method)
get_cov_contacts_with() (in module luna.interaction.contact)
get_degree() (AtomWrapper method)
get_end_atom() (BondWrapper method)
get_entity_from_entry() (in module luna.MyBio.util)
get_entry_results() (Project method)
get_features_by_atoms() (FeatureExtractor method)
,
[1]
get_features_by_groups() (FeatureExtractor method)
,
[1]
get_file_format() (in module luna.util.file)
get_filename() (in module luna.util.file)
get_functions() (InteractionCalculator method)
get_h_count() (AtomWrapper method)
get_id() (AtomWrapper method)
get_identifiers() (ShellManager method)
get_idx() (AtomWrapper method)
get_interactions_with() (AtomGroup method)
get_isotope() (AtomWrapper method)
get_last_shell() (ShellManager method)
get_ligand_smiles() (LigandExpoTemplate method)
get_mass() (AtomWrapper method)
get_name() (MolWrapper method)
get_names() (PymolWrapper method)
get_neighbor_info() (ExtendedAtom method)
get_neighbors() (AtomWrapper method)
get_neighbors_number() (AtomWrapper method)
get_normalized_color() (ColorPallete method)
get_num_bits() (Fingerprint method)
get_num_heavy_atoms() (MolWrapper method)
get_num_off_bits() (Fingerprint method)
get_num_on_bits() (Fingerprint method)
get_obj_type() (MolWrapper method)
get_on_bits() (Fingerprint method)
get_parent() (AtomWrapper method)
get_partner() (InteractionType method)
get_partner_atom() (BondWrapper method)
get_previous_shell() (ShellManager method)
get_prop() (Fingerprint method)
get_proximal_compounds() (in module luna.interaction.contact)
get_residue_cov_bonds() (in module luna.MyBio.util)
get_residue_neighbors() (in module luna.MyBio.util)
get_section_map() (Config method)
get_seq_records() (in module luna.align.tmalign)
get_serial_numbers() (AtomGroup method)
get_shell_by_center_and_level() (ShellManager method)
get_shells_by_center() (ShellManager method)
get_shells_by_identifier() (ShellManager method)
get_shells_by_level() (ShellManager method)
get_shortest_path_length() (AtomGroup method)
(AtomGroupsManager method)
get_symbol() (AtomWrapper method)
get_unnormalized_color() (ColorPallete method)
get_valence() (AtomWrapper method)
get_valid_shells() (ShellManager method)
GetAtomIds() (OBMolChemicalFeature method)
,
[1]
GetFamily() (OBMolChemicalFeature method)
,
[1]
group() (PymolWrapper method)
group_exists() (PymolWrapper method)
H
has_atom() (AtomGroup method)
has_bond_type() (AtomWrapper method)
has_hetatm() (AtomGroup method)
has_name() (MolWrapper method)
has_nucleotide() (AtomGroup method)
has_only_bond_type() (AtomWrapper method)
has_residue() (AtomGroup method)
has_target() (AtomGroup method)
has_water() (AtomGroup method)
hash_shell() (Shell method)
heatmap() (in module luna.analysis.residues)
HETATM (CompoundClassIds attribute)
hex2rgb() (in module luna.util)
HEXTUPLE (BondType attribute)
HID (ResidueStandard attribute)
hide() (PymolWrapper method)
hide_all() (PymolWrapper method)
HIE (ResidueStandard attribute)
HIFP (IFPType attribute)
HIP (ResidueStandard attribute)
HYDROGEN (BondType attribute)
I
identifier (Shell property)
ifps (Project property)
IFPType (class in luna.interaction.fp.type)
indices (Fingerprint property)
inputs (ProgressResult property)
inter_tuples (Shell property)
InteractionCalculator (class in luna.interaction.calc)
InteractionConfig (class in luna.interaction.config)
InteractionFilter (class in luna.interaction.filter)
interactions (AtomGroup property)
(InteractionsManager property)
(Shell property)
interactions_mngrs (Project property)
InteractionsManager (class in luna.interaction.calc)
InteractionType (class in luna.interaction.type)
InteractionViewer (class in luna.interaction.view)
intersection() (Fingerprint method)
invariants (ExtendedAtom property)
IONIC (BondType attribute)
is_aromatic() (AtomWrapper method)
(BondWrapper method)
is_covalently_bound() (in module luna.MyBio.util)
is_directional() (InteractionType method)
is_directory_valid() (in module luna.util.file)
is_feature_pair_valid() (InteractionCalculator method)
is_file_valid() (in module luna.util.file)
is_hetatm() (AtomGroup method)
is_in_ring() (AtomWrapper method)
is_intermol_interaction() (InteractionType method)
is_intramol_interaction() (InteractionType method)
is_mixed() (AtomGroup method)
is_mol_obj_loaded() (MolFileEntry method)
is_neighbor() (ExtendedAtom method)
is_nucleotide() (AtomGroup method)
is_openbabel_obj() (AtomWrapper method)
(BondWrapper method)
(MolWrapper method)
is_pybel_obj() (MolWrapper method)
is_rdkit_obj() (AtomWrapper method)
(BondWrapper method)
(MolWrapper method)
is_residue() (AtomGroup method)
is_similar() (Shell method)
is_valid() (BindingModeCondition method)
(BindingModeFilter method)
(Entry method)
(MolFileEntry method)
(RDKitValidator method)
(Shell method)
is_valid_pair() (InteractionFilter method)
is_water() (AtomGroup method)
is_within_boundary() (InteractionCalculator method)
iter_to_chunks() (in module luna.util)
L
label() (PymolWrapper method)
LigandExpoTemplate (class in luna.mol.templates)
load() (AtomGroupsManager static method)
(EntryResults static method)
(InteractionsManager static method)
(Project static method)
(PymolWrapper method)
load_mol_from_pdb_block() (PymolWrapper method)
load_pdb() (PymolSessionManager method)
LocalProject (class in luna.projects)
logging_enabled (Project property)
lowercase() (in module luna.util.stringcase)
luna
module
luna.align
module
luna.align.tmalign
module
luna.analysis
module
luna.analysis.residues
module
luna.analysis.summary
module
luna.interaction
module
luna.interaction.calc
module
luna.interaction.config
module
luna.interaction.contact
module
luna.interaction.filter
module
luna.interaction.fp
module
luna.interaction.fp.fingerprint
module
luna.interaction.fp.shell
module
luna.interaction.fp.type
module
luna.interaction.fp.view
module
luna.interaction.type
module
luna.interaction.view
module
luna.mol
module
luna.mol.atom
module
luna.mol.charge_model
module
luna.mol.clustering
module
luna.mol.depiction
module
luna.mol.entry
module
luna.mol.features
module
,
[1]
luna.mol.fingerprint
module
luna.mol.groups
module
luna.mol.standardiser
module
luna.mol.templates
module
luna.mol.validator
module
luna.MyBio
module
luna.MyBio.extractor
module
luna.MyBio.selector
module
luna.MyBio.util
module
luna.projects
module
luna.util
module
luna.util.config
module
luna.util.file
module
luna.util.jobs
module
luna.util.progress_tracker
module
luna.util.stringcase
module
luna.wrappers
module
luna.wrappers.base
module
luna.wrappers.cif
module
luna.wrappers.obabel
module
luna.wrappers.pymol
module
luna.wrappers.rdkit
module
M
maccs_keys_fp() (FingerprintGenerator method)
manager (AtomGroup property)
(Shell property)
matches_smarts() (AtomWrapper method)
merge_hydrophobic_atoms() (AtomGroupsManager method)
mfps (Project property)
module
luna
luna.align
luna.align.tmalign
luna.analysis
luna.analysis.residues
luna.analysis.summary
luna.interaction
luna.interaction.calc
luna.interaction.config
luna.interaction.contact
luna.interaction.filter
luna.interaction.fp
luna.interaction.fp.fingerprint
luna.interaction.fp.shell
luna.interaction.fp.type
luna.interaction.fp.view
luna.interaction.type
luna.interaction.view
luna.mol
luna.mol.atom
luna.mol.charge_model
luna.mol.clustering
luna.mol.depiction
luna.mol.entry
luna.mol.features
,
[1]
luna.mol.fingerprint
luna.mol.groups
luna.mol.standardiser
luna.mol.templates
luna.mol.validator
luna.MyBio
luna.MyBio.extractor
luna.MyBio.selector
luna.MyBio.util
luna.projects
luna.util
luna.util.config
luna.util.file
luna.util.jobs
luna.util.progress_tracker
luna.util.stringcase
luna.wrappers
luna.wrappers.base
luna.wrappers.cif
luna.wrappers.obabel
luna.wrappers.pymol
luna.wrappers.rdkit
mol (FingerprintGenerator property)
mol_obj (MolFileEntry property)
(MolWrapper property)
mol_to_svg() (in module luna.wrappers.obabel)
MolEntry (class in luna.mol.entry)
MolFileEntry (class in luna.mol.entry)
MolValidator (class in luna.mol.validator)
MolWrapper (class in luna.wrappers.base)
morgan_fp() (FingerprintGenerator method)
mybio_to_pymol_selection() (in module luna.wrappers.pymol)
N
name (Fingerprint property)
neighborhood (Shell property)
neighbors_info (ExtendedAtom property)
new_atm_grp() (AtomGroupsManager method)
new_mol_from_block() (in module luna.wrappers.rdkit)
new_nli_filter() (InteractionFilter class method)
new_nni_filter() (InteractionFilter class method)
new_pli_filter() (InteractionFilter class method)
new_pni_filter() (InteractionFilter class method)
new_ppi_filter() (InteractionFilter class method)
new_random_string() (in module luna.util)
new_session() (PymolSessionManager method)
new_unique_filename() (in module luna.util.file)
normal (AtomGroup property)
nproc (Project property)
NUCLEOTIDE (CompoundClassIds attribute)
num_levels (Fingerprint property)
num_shells (Fingerprint property)
(ShellManager property)
num_unique_shells (ShellManager property)
O
OBBondType (class in luna.wrappers.base)
obj_exists() (PymolWrapper method)
OBMolChemicalFeature (class in luna.mol.features)
,
[1]
ONEANDAHALF (BondType attribute)
OpenEyeModel (class in luna.mol.charge_model)
OTHER (BondType attribute)
outputs (ProgressResult property)
P
ParallelJobs (class in luna.util.jobs)
params (InteractionConfig property)
(InteractionType property)
parent (AtomWrapper property)
parse_from_file() (in module luna.MyBio.util)
parse_json_file() (in module luna.util.file)
pascalcase() (in module luna.util.stringcase)
pathcase() (in module luna.util.stringcase)
pdb_id (Entry property)
perceive_atom_groups() (AtomGroupPerceiver method)
pharm2d_fp() (FingerprintGenerator method)
PharmacophoreDepiction (class in luna.mol.depiction)
pickle_data() (in module luna.util.file)
plot_fig() (PharmacophoreDepiction method)
previous_shell (Shell property)
progress (ProgressTracker property)
ProgressData (class in luna.util.progress_tracker)
ProgressResult (class in luna.util.progress_tracker)
ProgressTracker (class in luna.util.progress_tracker)
Project (class in luna.projects)
project_file (Project property)
props (Fingerprint property)
PseudoAtomGroup (class in luna.mol.groups)
PymolSessionManager (class in luna.wrappers.pymol)
PymolWrapper (class in luna.wrappers.pymol)
Q
QUADRUPLE (BondType attribute)
QUINTUPLE (BondType attribute)
quit() (PymolWrapper method)
R
radius_step (Fingerprint property)
rdk_fp() (FingerprintGenerator method)
RDKitValidator (class in luna.mol.validator)
read_mol_from_file() (in module luna.wrappers.rdkit)
read_multimol_file() (in module luna.wrappers.rdkit)
recover_entries_from_entity() (in module luna.mol.entry)
reinitialize() (PymolWrapper method)
remove() (PymolWrapper method)
remove_atm_grps() (AtomGroupsManager method)
(ExtendedAtom method)
remove_directory() (in module luna.util.file)
remove_duplicate_entries() (Project method)
remove_features() (AtomGroup method)
remove_files() (in module luna.util.file)
remove_h2o_pairs_with_no_target() (InteractionCalculator method)
remove_inconsistencies() (InteractionCalculator method)
remove_interactions() (AtomGroup method)
(InteractionsManager method)
remove_nb_info() (ExtendedAtom method)
remove_sup_files() (in module luna.align.tmalign)
required_interactions (InteractionType property)
RESIDUE (CompoundClassIds attribute)
ResidueSelector (class in luna.MyBio.selector)
ResidueSelectorBySeqNum (class in luna.MyBio.selector)
ResiduesStandardiser (class in luna.mol.standardiser)
ResidueStandard (class in luna.mol.standardiser)
results (Project property)
rgb2hex() (in module luna.util)
run() (Project method)
(PymolWrapper method)
run_cmds() (PymolWrapper method)
run_jobs() (ParallelJobs method)
running_time (ProgressTracker property)
S
save() (AtomGroupsManager method)
(EntryResults method)
(InteractionsManager method)
(Project method)
save_png() (PymolWrapper method)
save_session() (PymolSessionManager method)
(PymolWrapper method)
save_to_file() (in module luna.MyBio.util)
search() (AtomGroupNeighborhood method)
sel_exists() (PymolWrapper method)
select() (PymolWrapper method)
Selector (class in luna.MyBio.selector)
sentencecase() (in module luna.util.stringcase)
Sentinel (class in luna.util.jobs)
set() (PymolWrapper method)
set_as_aromatic() (AtomWrapper method)
(BondWrapper method)
set_bond_type() (BondWrapper method)
set_charge() (AtomWrapper method)
set_functions_to_pair() (InteractionCalculator method)
set_in_ring() (AtomWrapper method)
set_interactions_view() (PymolSessionManager method)
set_last_details_to_view() (PymolSessionManager method)
set_name() (MolWrapper method)
set_prop() (Fingerprint method)
set_view() (InteractionViewer method)
(PymolSessionManager method)
(ShellViewer method)
Shell (class in luna.interaction.fp.shell)
ShellGenerator (class in luna.interaction.fp.shell)
ShellManager (class in luna.interaction.fp.shell)
ShellViewer (class in luna.interaction.fp.view)
show() (PymolWrapper method)
SINGLE (BondType attribute)
(OBBondType attribute)
size (AtomGroup property)
(AtomGroupsManager property)
(InteractionsManager property)
snakecase() (in module luna.util.stringcase)
spinalcase() (in module luna.util.stringcase)
src_centroid (InteractionType property)
src_grp (InteractionType property)
src_interacting_atms (InteractionType property)
standardise() (ResiduesStandardiser method)
start() (ProgressTracker method)
start_session() (PymolSessionManager method)
summary (AtomGroupsManager property)
symmetric_difference() (Fingerprint method)
T
Template (class in luna.mol.templates)
THREEANDAHALF (BondType attribute)
THREECENTER (BondType attribute)
titlecase() (in module luna.util.stringcase)
TMAlignment (class in luna.align.tmalign)
to_bit_string() (Fingerprint method)
to_bit_vector() (Fingerprint method)
to_csv() (InteractionsManager method)
to_fingerprint() (ShellManager method)
to_json() (InteractionsManager method)
to_mol_block() (MolWrapper method)
to_pdb_block() (MolWrapper method)
to_rdkit() (Fingerprint method)
to_smiles() (MolWrapper method)
to_string() (Entry method)
to_vector() (Fingerprint method)
torsion_fp() (FingerprintGenerator method)
trace_back_feature() (ShellManager method)
trgt_centroid (InteractionType property)
trgt_grp (InteractionType property)
trgt_interacting_atms (InteractionType property)
trimcase() (in module luna.util.stringcase)
TRIPLE (BondType attribute)
(OBBondType attribute)
TWOANDAHALF (BondType attribute)
type (InteractionType property)
U
unfold() (Fingerprint method)
unfolded_fp (Fingerprint property)
unfolded_indices (Fingerprint property)
unfolding_map (Fingerprint property)
union() (Fingerprint method)
unique_shells (ShellManager property)
UNKNOWN (CompoundClassIds attribute)
unpickle_data() (in module luna.util.file)
UNSPECIFIED (BondType attribute)
unwrap() (AtomWrapper method)
(BondWrapper method)
(MolWrapper method)
uppercase() (in module luna.util.stringcase)
V
validate_directory() (in module luna.util.file)
validate_file() (in module luna.util.file)
validate_filesystem() (in module luna.util.file)
validate_mol() (MolValidator method)
verbosity (Project property)
verify_pdb_files_existence() (Project method)
W
WATER (CompoundClassIds attribute)
X
x (AtomData property)
Y
y (AtomData property)
Z
z (AtomData property)
ZERO (BondType attribute)
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