Index

A

atomic_neighbors (configuration value)

B

bidentate_rotator (configuration value)

C

command line option DARTassembler, [1], [2], [3], [4], [5], [6] complex_name_appendix (configuration value)

complex_name_length (configuration value) concatenate_xyz (configuration value) coordinating_atoms_composition (configuration value)

D

DARTassembler command line option, [1], [2], [3], [4], [5], [6]

denticities (configuration value)

F

ffmovie (configuration value)

forcefield (configuration value)

G

geometry (configuration value)

geometry_modifier_filepath (configuration value) graph_IDs (configuration value)

I

input_db_file (configuration value)

interatomic_distances (configuration value) isomers (configuration value)

L

ligand_charges (configuration value)

ligand_composition (configuration value) ligand_db_file (configuration value)

M

max_num_complexes (configuration value) metal_center (configuration value)

metal_ligand_binding_history (configuration value) metal_oxidation_state (configuration value) molecular_weight (configuration value)

N

name (configuration value)

number_of_atoms (configuration value)

O

occurrences (configuration value) output_db_file (configuration value)

output_directory (configuration value) output_ligands_info (configuration value)

P

planarity (configuration value)

R

random_seed (configuration value) remove_ligands_with_adjacent_coordinating_atoms (configuration value)

remove_ligands_with_beta_hydrogens (configuration value) remove_ligands_with_missing_bond_orders (configuration value)

S

same_isomer_names (configuration value)

smarts (configuration value)

T

total_charge (configuration value)

V

verbosity (configuration value)