Package chemaxon.core.calculations

package chemaxon.core.calculations

Provides essential calculations for molecular structures.

Related Packages

Package	Description
chemaxon.core.calculations.clean	Provides 2D and 3D structure cleaning algorithms for coordinate generation and optimization.
chemaxon.core.calculations.stereo	Provides common descriptor and calculator classes for stereochemistry.

Classes

Class	Description
ElementalAnalyzer	Calculates molecular formula, mass, MS mass and composition.
Hydrogenizer	Addition and removal of explicit hydrogens or lone pairs.
Ring	The ring class provides information of the ring types in a molecule.
TopologyAnalyzer	Provides functions for analyzing the topology of a molecule.