Browse and search CPAN

Modules > > C > > Chemistry

Chemistry::3DBuilder Generate 3D coordinates from a connection table	Chemistry::Artificial::Graphics	Chemistry::Artificial::SQL
Chemistry::Atom Chemical atoms as objects in molecules	Chemistry::Bond Chemical bonds as objects in molecules	Chemistry::Bond::Find Detect bonds in a molecule from atomic 3D coordinates and assign formal bond orders
Chemistry::Canonicalize Number the atoms in a molecule in a unique way	Chemistry::Domain Class for domains in macromolecules	Chemistry::Elements Working with Chemical Elements
Chemistry::ESPT::ADFout Amsterdam Density Functional (ADF) output file object.	Chemistry::ESPT::Aprmcrd AMBER prmcrd file object.	Chemistry::ESPT::Aprmtop AMBER prmtop file object.
Chemistry::ESPT::ESSfile Generic Electronic Structure Suite (ESS) file object.	Chemistry::ESPT::Gfchk Gaussian formatted checkpoint file object.	Chemistry::ESPT::Glib Gaussian library module
Chemistry::ESPT::Glog Gaussian log file object.	Chemistry::File Molecule file I/O base class	Chemistry::File::Dumper Read and write molecules via Data::Dumper
Chemistry::File::Formula Molecular formula reader/formatter	Chemistry::File::FormulaPattern Wrapper Chemistry::File class for Formula patterns	Chemistry::File::InternalCoords Internal coordinates (z-matrix) molecule format reader/writer
Chemistry::File::MDLMol MDL molfile reader/writer	Chemistry::File::MidasPattern Wrapper Chemistry::File class for Midas patterns	Chemistry::File::Mopac MOPAC 6 input file reader/writer
Chemistry::File::PDB PDB (Protein Data Bank) file reader/writer	Chemistry::File::QChemOut Q-Chem ouput molecule format reader	Chemistry::File::SDF MDL Structure Data File reader/writer
Chemistry::File::SLN SLN linear notation parser/writer	Chemistry::File::SLN::Parser	Chemistry::File::SMARTS SMARTS chemical substructure pattern linear notation parser
Chemistry::File::SMILES SMILES linear notation parser/writer	Chemistry::File::VRML Generate VRML models for molecules	Chemistry::File::XYZ XYZ molecule format reader/writer
Chemistry::FormulaPattern Match molecule by formula	Chemistry::Harmonia Decision of simple and difficult chemical puzzles.	Chemistry::InternalCoords Represent the position of an atom using internal
Chemistry::InternalCoords::Builder Build a Z-matrix from cartesian	Chemistry::Isotope Table of the isotopes exact mass data	Chemistry::MacroMol Perl module for macromolecules
Chemistry::MidasPattern Select atoms in macromolecules	Chemistry::Mok molecular awk interpreter	Chemistry::Mol Molecule object toolkit
Chemistry::MolecularMass Perl extension for calculating	Chemistry::Obj Abstract chemistry object	Chemistry::OpenBabel
Chemistry::Pattern Chemical substructure pattern matching	Chemistry::Pattern::Atom An atom that knows how to match	Chemistry::Pattern::Bond A bond that knows how to match
Chemistry::PointGroup Group theory for normal modes of vibration	Chemistry::PointGroup::C1 Point group C1	Chemistry::PointGroup::C2 Point group C2
Chemistry::PointGroup::C2h Point group C2h	Chemistry::PointGroup::C2v Point group C2v	Chemistry::PointGroup::C3 Point group C3
Chemistry::PointGroup::C3h Point group C3h	Chemistry::PointGroup::C3v Point group C3v	Chemistry::PointGroup::C4 Point group C4
Chemistry::PointGroup::C4h Point group C4h	Chemistry::PointGroup::C4v Point group C4v	Chemistry::PointGroup::C6 Point group C6
Chemistry::PointGroup::C6h Point group C6h	Chemistry::PointGroup::C6v Point group C6v	Chemistry::PointGroup::Ci Point group Ci
Chemistry::PointGroup::Cs Point group Cs	Chemistry::PointGroup::D2 Point group D2	Chemistry::PointGroup::D2d Point group D2d
Chemistry::PointGroup::D2h Point group D2h	Chemistry::PointGroup::D3 Point group D3	Chemistry::PointGroup::D3d Point group D3d
Chemistry::PointGroup::D3h Point group D3h	Chemistry::PointGroup::D4 Point group D4	Chemistry::PointGroup::D4h Point group D4h
Chemistry::PointGroup::D6 Point group D6	Chemistry::PointGroup::D6h Point group D6h	Chemistry::PointGroup::O Point group O
Chemistry::PointGroup::Oh Point group Oh	Chemistry::PointGroup::S4 Poit group S4	Chemistry::PointGroup::S6 Point group S6
Chemistry::PointGroup::T Point group T	Chemistry::PointGroup::Td Point group Td	Chemistry::PointGroup::Th Point group Th
Chemistry::Reaction Explicit chemical reactions	Chemistry::Ring Represent a ring as a substructure of a molecule	Chemistry::Ring::Find Find the rings (cycles) in a molecule
Chemistry::Smiles SMILES parser (deprecated)	Chemistry::SQL

Problems, suggestions, or comments to Randy Kobes.		Questions? Check the FAQ.
		Enable installations using PAR::WebStart.