Search results for "module:Chemistry::Elements"
Chemistry::Elements - Perl extension for working with Chemical Elements
There are two parts to the module: the object stuff and the exportable functions for use outside of the object stuff. The exportable functions are discussed in "Exportable functions". Chemistry::Elements provides an easy, object-oriented way to keep ...BDFOY/Chemistry-Elements-1.075 - 26 Oct 2021 17:14:13 UTC
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....BREQUESEN/Chemistry-SQL-0.01 - 07 Dec 2005 08:59:28 UTC
Chemistry::Atom - Chemical atoms as objects in molecules
This module includes objects to describe chemical atoms. An atom is defined by its symbol and its coordinates, among other attributes. Atomic coordinates are described by a Math::VectorReal object, so that they can be easily used in vector operations...MERKYS/Chemistry-Mol-0.39 - 13 Jul 2022 08:36:38 UTC
Chemistry::Isotope - Table of the isotopes exact mass data
This module contains the exact mass data from the table of the isotopes. It has an exportable function, isotope_mass, which returns the mass of an atom in mass units given its mass number (A) and atomic number (Z); and a function isotope_abundance wh...ITUB/Chemistry-Isotope-0.11 - 18 May 2005 23:16:55 UTC
Chemistry::Harmonia - Decision of simple and difficult chemical puzzles.
The module provides the necessary subroutines to solve some puzzles of the general inorganic and physical chemistry. The methods implemented in this module, are all oriented to known rules and laws of general and physical chemistry....DONANGEL/Chemistry-Harmonia-0.118 - 18 May 2013 20:01:04 UTC
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 UTC
Chemistry::PointGroup - Group theory for normal modes of vibration
Many common molecules, for example, water, ammonia, methane,etc., possess some symmetry. In calculating the normal modes and frequencies of vibration, symmetry considerations can reduce enormously the labor of the calculations. The symmetry and geome...MANFREDI/Chemistry-PointGroup-0.01 - 20 Feb 2006 07:50:33 UTC
Chemistry::MolecularMass - Perl extension for calculating molecular mass of a chemical compound given its chemical formula.
Chemistry::MolecularMass is an Object Oriented Perl module for calculating molcular mass of chemical compounds implemented with Perl and C. Molecular masses of elements stored in the module follow recommendations of IUPAC (1995). The module includes ...MKHRAPOV/Chemistry-MolecularMass-0.1 - 21 Sep 2000 22:32:47 UTC
Chemistry::Bond::Find - Detect bonds in a molecule from atomic 3D coordinates and assign formal bond orders
This module provides functions for detecting the bonds in a molecule from its 3D coordinates by using simple cutoffs, and for guessing the formal bond orders. This module is part of the PerlMol project, <http://www.perlmol.org/>....ITUB/Chemistry-Bond-Find-0.23 - 10 May 2009 20:05:27 UTC
Chemistry::FormulaPattern - Match molecule by formula
This module implements a simple language for describing a range of molecular formulas and allows one to find out whether a molecule matches the formula specification. It can be used for searching for molecules by formula, in a way similar to the NIST...ITUB/Chemistry-FormulaPattern-0.10 - 11 Aug 2004 23:09:39 UTC
Chemistry::ESPT::Aprmtop - AMBER prmtop file object.
This module provides methods to quickly access data contained in an AMBER prmtop file. AMBER prmtop files can only be read currently....JSONNENB/Chemistry-ESPT-0.01 - 24 Jul 2008 23:10:41 UTC
Chemistry::ESPT::ESSfile - Generic Electronic Structure Suite (ESS) file object.
This module is the base class for all of the Electronic Structure Perl Toolkit (ESPT) ESS file objects. It provides the generic attributes, methods, and subroutines common to all ESPT file objects....JSONNENB/Chemistry-ESPT-0.01 - 24 Jul 2008 23:10:41 UTC
Chemistry::File::Formula - Molecular formula reader/formatter
This module converts a molecule object to a string with the formula and back. It registers the 'formula' format with Chemistry::Mol. Besides its obvious use, it is included in the Chemistry::Mol distribution because it is a very simple example of a C...MERKYS/Chemistry-Mol-0.39 - 13 Jul 2022 08:36:38 UTC