Description Usage Arguments Value Examples
Returns connection table for a molecule.
1 | mol_get_ct(mol, bond_orders)
|
mol |
molecule |
bond_orders |
whether to specify bond orders in connection table (1/0, default=0) |
Connection table
1 2 3 | data("alkans74")
mol <- alkans74.mdb[[1]]
mol_get_ct(mol)
|
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