MoleculeProperty

MoleculeProperty[pname]

represents a property identified by pname for use in MoleculeValue.

MoleculeProperty[{pname,item}]

represents a property that applies to item within a molecule.

Details

Examples

Basic Examples  (3)

Query for the computed coordinates of a molecule:

MoleculeProperty can also act as an operator on molecules:

Sort a list of molecules by a particular property:

Introduced in 2019
 (12.0)