Module molecule

Module molecule 

Source

Structs§

Atom
Bond
BondAngle
BondChange
MolecularFormula
MolecularSystem
Molecule
This function
ParseFormulaError

Enums§

BondState
BondType
ChiralClass

Functions§

can_increase_bond
decrease_bond
decrease_bonds
extract_atom_cif
This function reads a cif file line and extracts the atom information
extract_atom_pdb
This function reads a pdb file line and extracts the atom information
increase_bond
increase_bonds
relaxed_backtrack_bonding
subgraph_isomorphism
update_degrees