PerlMol - Perl modules for molecular chemistry
# This is a bundle containing all of the modules # of the PerlMol Project and their dependencies. # This is not a real module; it is the main index # to the documentation of the PerlMol modules.
PerlMol is a collection of Perl modules for chemoinformatics and computational chemistry with the philosophy that "simple things should be simple". It should be possible to write one-liners that use this toolkit to do meaningful "molecular munging". The PerlMol toolkit provides objects and methods for representing molecules, atoms, and bonds in Perl; doing substructure matching; and reading and writing files in various formats.
What follows is an index of the relevant documentation.
The following modules are indented according to the class hierarchy:
These are auxiliary modules for which object classes seemed overkill
Publications
F. Rosselló, G. Valiente. Chemical Graphs, Chemical Reaction Graphs, and Chemical Graph Transformation. To appear in Proc. 2nd Int. Workshop on Graph-Based Tools, Electronic Notes in Computer Science 2004 (abstract available at http://www.lsi.upc.es/%7Evaliente/abs-grabats-2004.html).
Tubert-Brohman, I. Perl and Chemistry. The Perl Journal 2004-06 (subscription required)
This is the PerlMol bundled release version 0.2600. It includes the following distributions:
Chemistry-Bond-Find 0.21 Chemistry-Canonicalize 0.10 Chemistry-File-MDLMol 0.17 Chemistry-File-Mopac 0.15 Chemistry-File-PDB 0.20 Chemistry-File-SLN 0.10 Chemistry-File-SMARTS 0.20 Chemistry-File-SMILES 0.42 Chemistry-File-XYZ 0.11 Chemistry-FormulaPattern 0.10 Chemistry-InternalCoords 0.17 Chemistry-MacroMol 0.06 Chemistry-MidasPattern 0.10 Chemistry-Mok 0.23 Chemistry-Mol 0.26 Chemistry-Pattern 0.25 Chemistry-Ring 0.18 Math-VectorReal 1.02 Parse-Yapp 1.05 Statistics-Regression 0.15
The version number of a PerlMol bundle is always the same as the version number of the included Chemistry-Mol distribution, plus two extra digits that distinguish between different bundles based on the same Chemistry-Mol distribution.
The PerlMol website http://www.perlmol.org/
Ivan Tubert-Brohman <itub@cpan.org>
Copyright (c) 2004 Ivan Tubert.-Brohman All rights reserved. This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
1 POD Error
The following errors were encountered while parsing the POD:
Non-ASCII character seen before =encoding in 'Rosselló,'. Assuming CP1252
To install PerlMol, copy and paste the appropriate command in to your terminal.
cpanm
cpanm PerlMol
CPAN shell
perl -MCPAN -e shell install PerlMol
For more information on module installation, please visit the detailed CPAN module installation guide.