mol_get_ct: Return connection table for a molecule
In conmolfields: Continuous molecular fields
Description
Usage
Arguments
Value
Examples
Description
Returns connection table for a molecule.
Usage
1
mol_get_ct(mol, bond_orders)
Arguments
mol
molecule
bond_orders
whether to specify bond orders in connection table (1/0, default=0)
Value
Connection table
Examples
1
2
3
data("alkans74")
mol <- alkans74.mdb[[1]]
mol_get_ct(mol)
conmolfields documentation built on May 2, 2019, 4:18 p.m.
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Description Usage Arguments Value Examples
Description
Returns connection table for a molecule.
Usage
1 | mol_get_ct(mol, bond_orders)
|
Arguments
mol |
molecule |
bond_orders |
whether to specify bond orders in connection table (1/0, default=0) |
Value
Connection table
Examples
1 2 3 | data("alkans74")
mol <- alkans74.mdb[[1]]
mol_get_ct(mol)
|
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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