13 results (0.38 seconds)
Chemistry::Smiles - SMILES parser (deprecated) ++

NOTE: THIS MODULE IS DEPRECATED! Use Chemistry::File::SMILES instead. This object-oriented module parses a SMILES (Simplified Molecular Input Line Entry Specification) string. It can either return the molecule as a Chemistry::Mol object or be used vi...

ITUB/Chemistry-Smiles-0.13 - 27 Feb 2004 23:47:08 GMT - Search in distribution

Chemistry::File::SMILES - SMILES linear notation parser/writer ++

This module parses a SMILES (Simplified Molecular Input Line Entry Specification) string. This is a File I/O driver for the PerlMol project. <http://www.perlmol.org/>. It registers the 'smiles' format with Chemistry::Mol. This parser interprets anyth...

ITUB/Chemistry-File-SMILES-0.47 - 08 Jul 2010 03:16:39 GMT - Search in distribution

PerlMol - Perl modules for molecular chemistry 1 ++

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". ...

ITUB/PerlMol-0.3500 - 24 May 2005 23:19:23 GMT - Search in distribution

mok - an awk for molecules ++

The purpose of mok is to read all the molecules found in the files that are given in the command line, and for each molecule execute the CODE that is given. The CODE is given in Perl and it has at its disposal all of the methods of the PerlMol toolki...

ITUB/Chemistry-Mok-0.25 - 16 May 2005 21:55:57 GMT - Search in distribution

Chemistry::3DBuilder - Generate 3D coordinates from a connection table ++

This module generates a three-dimensional molecular structure from a connection table, such as that obtained by a 2D representation of the molecule or from a SMILES string. NOTE: this module is still at a very early stage of development so it has imp...

ITUB/Chemistry-3DBuilder-0.10 - 06 May 2005 22:37:42 GMT - Search in distribution

Chemistry::Mol - Molecule object toolkit ++

This package, along with Chemistry::Atom and Chemistry::Bond, includes basic objects and methods to describe molecules. The core methods try not to enforce a particular convention. This means that only a minimal set of attributes is provided by defau...

ITUB/Chemistry-Mol-0.37 - 10 May 2009 19:40:56 GMT - Search in distribution

Chemistry::SQL - Access Database Functions Module ++

This package provides the necessary functions to interact with the database. The methods implemented in this module are oriented to give users control of the database without knowing how to use SQL queries. SQL Attributes There are some attributes in...

BREQUESEN/Chemistry-SQL-0.01 - 07 Dec 2005 08:59:28 GMT - Search in distribution

Chemistry::Pattern - Chemical substructure pattern matching ++

This module implements basic pattern matching for molecules. The Chemistry::Pattern class is a subclass of Chemistry::Mol, so patterns have all the properties of molecules and can come from reading the same file formats. Of course there are certain f...

ITUB/Chemistry-Pattern-0.27 - 10 May 2009 21:00:10 GMT - Search in distribution

Chemistry::Reaction - Explicit chemical reactions ++

This package, along with Chemistry::Pattern, provides an implementation of explicit chemical reactions. An explicit chemical reaction is a representation of the transformation that takes place in a given chemical reaction. In an explicit chemical rea...

ITUB/Chemistry-Reaction-0.02 - 26 Sep 2004 19:20:27 GMT - Search in distribution

Chemistry::File::SMARTS - SMARTS chemical substructure pattern linear notation parser ++

This module parse a SMARTS (SMiles ARbitrary Target Specification) string, generating a Chemistry::Pattern object. It is a file I/O driver for the PerlMol toolkit; it's not called directly but by means of the Chemistry::Pattern->parse class method. F...

ITUB/Chemistry-File-SMARTS-0.22 - 16 May 2005 22:22:44 GMT - Search in distribution

Chemistry::File::SLN - SLN linear notation parser/writer ++

This module parses a SLN (Sybyl Line Notation) string. This is a File I/O driver for the PerlMol project. <http://www.perlmol.org/>. It registers the 'sln' format with Chemistry::Mol, and recognizes filenames ending in '.sln'. Optional attributes for...

ITUB/Chemistry-File-SLN-0.11 - 29 Mar 2005 16:42:04 GMT - Search in distribution

Chemistry::Artificial::SQL - Artificial chemistry with database support module ++

This package provides the necessary functions to work with the generation of artificial chemistry. The methods implemented in this package, are all oriented to generate artificial chemistry. There is a lot of interaction with the package Chemistry::S...

BREQUESEN/Chemistry-Artificial-SQL-0.01 - 07 Dec 2005 08:59:07 GMT - Search in distribution

Chemistry::Artificial::Graphics - Graphic plot for artificial with database support ++

This package, along with *Chemistry::SQL*, includes all the necessary to generate graphics of the artificial chemistry in database. Graphics Attributes * db: Working database. * width: Width screen value. * height: Height screen value. * def_fatherco...

BREQUESEN/Chemistry-Artificial-Graphics-0.01 - 07 Dec 2005 08:58:39 GMT - Search in distribution




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