apocharmm.atom_selector Namespace Reference

Provides the Python atom-selection evaluator. More...

Classes
class	AtomSelector
	Evaluates atom-selection expressions against one native PSF. More...

Detailed Description

Provides the Python atom-selection evaluator.

AtomSelector evaluates CHARMM-style selection strings against one CharmmPsf. select() returns independently owned set-valued AtomSelection objects, while selectAtom() requires exactly one match and returns an independently owned topology-aware AtomReference.

See also

atom_selection