Ivan Tubert-Brohman > PerlMol-0.35_00.ppm

PerlMol-0.35_00.ppm

This Release PerlMol-0.35_00.ppm  [Download] [Browse 24 May 2005 ** UNAUTHORIZED RELEASE **
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Modules

Chemistry::3DBuilder Generate 3D coordinates from a connection table    0.10
Chemistry::Atom Chemical atoms as objects in molecules    0.35
Chemistry::Bond Chemical bonds as objects in molecules    0.35
Chemistry::Bond::Find Detect bonds in a molecule from atomic 3D coordinates and assign formal bond orders    0.21
Chemistry::Canonicalize Number the atoms in a molecule in a unique way    0.10
Chemistry::Domain Class for domains in macromolecules    0.06
Chemistry::File Molecule file I/O base class    0.35
Chemistry::File::Dumper Read and write molecules via Data::Dumper    0.35
Chemistry::File::Formula Molecular formula reader/formatter    0.35
Chemistry::File::FormulaPattern Wrapper Chemistry::File class for Formula patterns    0.10
Chemistry::File::MDLMol MDL molfile reader/writer    0.20
Chemistry::File::MidasPattern Wrapper Chemistry::File class for Midas patterns    0.11
Chemistry::File::Mopac MOPAC 6 input file reader/writer    0.15
Chemistry::File::PDB Protein Data Bank file format reader/writer    0.21
Chemistry::File::SDF MDL Structure Data File reader/writer    0.20
Chemistry::File::SLN SLN linear notation parser/writer    0.11
Chemistry::File::SLN::Parser      
Chemistry::File::SMARTS SMARTS chemical substructure pattern linear notation parser    0.22
Chemistry::File::SMILES SMILES linear notation parser/writer    0.44
Chemistry::File::VRML Generate VRML models for molecules    0.10
Chemistry::File::XYZ XYZ molecule format reader/writer    0.11
Chemistry::FormulaPattern Match molecule by formula    0.10
Chemistry::InternalCoords Represent the position of an atom using internal coordinates and convert it to Cartesian coordinates.    0.18
Chemistry::InternalCoords::Builder Build a Z-matrix from cartesian coordinates    0.18
Chemistry::Isotope Table of the isotopes exact mass data    0.11
Chemistry::MacroMol Perl module for macromolecules    0.06
Chemistry::MidasPattern Select atoms in macromolecules    0.11
Chemistry::Mok molecular awk interpreter    0.25
Chemistry::Mol Molecule object toolkit    0.35
Chemistry::Obj Abstract chemistry object    0.35
Chemistry::Pattern Chemical substructure pattern matching    0.26
Chemistry::Pattern::Atom An atom that knows how to match    0.26
Chemistry::Pattern::Bond A bond that knows how to match    0.26
Chemistry::Reaction Explicit chemical reactions    0.02
Chemistry::Ring Represent a ring as a substructure of a molecule    0.19
Chemistry::Ring::Find Find the rings (cycles) in a molecule    0.19
Math::VectorReal Module to handle 3D Vector Mathematics  UNAUTHORIZED 1.0
Parse::Yapp Perl extension for generating and using LALR parsers.  UNAUTHORIZED  
Parse::Yapp::Driver   UNAUTHORIZED 1.05
Parse::Yapp::Grammar   UNAUTHORIZED  
Parse::Yapp::Lalr   UNAUTHORIZED  
Parse::Yapp::Options   UNAUTHORIZED  
Parse::Yapp::Output   UNAUTHORIZED  
Parse::Yapp::Parse   UNAUTHORIZED  
PerlMol Perl modules for molecular chemistry    0.3500
Statistics::Regression weighted linear regression package (line+plane fitting)    0.15

Documentation

Chemistry::Tutorial PerlMol Quick Tutorial 
mok an awk for molecules 
yapp A perl frontend to the Parse::Yapp module