![]() |
| |||||||
| Chemistry-3DBuilder
Generate 3D coordinates from a connection table |
Chemistry-Artificial-Graphics
Graphic plot for artificial with database support |
Chemistry-Artificial-SQL
Graphic plot for artificial with database support |
| 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-Elements
Perl extension for working with Chemical Elements |
| Chemistry-ESPT
Electronic structure data accessor objects |
Chemistry-File-InternalCoords
Internal coordinates (z-matrix) molecule format reader/writer |
Chemistry-File-MDLMol
MDL molfile reader/writer |
| 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-SLN
SLN linear notation parser/writer |
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-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 molecular mass of a chemical compound given its chemical formula. |
Chemistry-OpenBabel
|
| Chemistry-Pattern
Chemical substructure pattern matching |
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-Smiles
SMILES parser (deprecated) |
Chemistry-SQL
Access Database Functions Module |
| Problems, suggestions, or comments to Randy Kobes. | Questions? Check the FAQ. | |
| Enable installations using PAR::WebStart. |