Package chem - Namespaces

• Chem
• Chem.Aromaticity
• Chem.Atom
• Chem.AtomType
• Chem.Data
• Chem.Elem
• Chem.Formula
• Chem.Isotope
• Chem.Query
• Chem.Types
• Chem.Util
• Chem.QSAR.HAcceptor

  Functionality for counting the number of hydrogen bond acceptors in a molecule.
• Chem.QSAR.HDonor

  Functionality for counting the number of hydrogen bond donors in a molecule.
• Chem.QSAR.JPlogP

  This computes the logP in accordance with the JLogP module in the CDK.
• Chem.QSAR.RotatableBonds
• Chem.QSAR.TPSA
• Chem.QSAR.Util

  Utilities for computing molecular descriptors
• Geom
• Geom.Angle
• Geom.Bounds
• Geom.Interpolate
• Geom.Matrix
• Geom.Mol

  The geometry of molecules
• Geom.Point
• Geom.Scale
• Geom.Vector
• Geom.Gen2D.Debug
• Geom.Gen2D.Generate
• Geom.Gen2D.Place
• Geom.Gen2D.Rings
• Geom.Gen2D.State
• Geom.Gen2D.Types
• Text.Molfile
• Text.Molfile.AtomType
• Text.Molfile.Parser
• Text.Molfile.SData
• Text.Molfile.Types

  Some of the refined types in here should probably go to their own dedicated module
• Text.Molfile.Writer
• Text.Molfile.Parser.KeyVal
• Text.Molfile.Parser.Stack
• Text.Molfile.Parser.Util
• Text.Molfile.Parser.V2000
• Text.Molfile.Parser.V3000
• Text.Molfile.Writer.Util
• Text.Molfile.Writer.V2000
• Text.Molfile.Writer.V3000
• Text.Lex.Formula
• Text.Smiles
• Text.Smiles.AtomType
• Text.Smiles.Parser
• Text.Smiles.Types