autofragment.partitioners

Partitioner classes for molecular fragmentation.

Modules

base	Base class for partitioners.
batch	Batch partitioner for consistent labeling across multiple files.
bio	Biological system partitioner for mmCIF files.
geometric	Geometric partitioning for materials.
matsci	Materials science partitioner.
molecular	Molecular partitioner for water clusters and similar systems.
nucleic	Nucleic acid partitioner for DNA and RNA molecules.
qmmm	QM/MM partitioner for multi-level calculations.
spectral	Spectral partitioner with optional graph dependencies.
topology	Topology-based neighborhood selection utilities.