partition
fun Molecule.partitionAndAtomMap(combineSolvent: Boolean = true): Pair<List<Pair<MoleculeType, Molecule>>, AtomMap>
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Partition a single Molecule into a list of Molecules based on AMBER rules for residue classification.
Also returns a map between atoms in the input molecule (A side) and atoms in the partitioned molecules (B side).
fun Collection<Molecule>.partitionAndAtomMap(combineSolvent: Boolean = true): Pair<List<Pair<MoleculeType, Molecule>>, AtomMap>
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