Idris2Doc
: chem
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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