Chemistry/Mol version 0.11
==========================
This toolkit includes basic objects and methods to describe molecules. It
consists of several modules: Chemistry::Mol, Chemistry::Atom, Chemistry::Bond,
and Chemistry::File.
The core methods try not to commit to a particular convention, therefore fields
such as the bond type have no intrinsic meaning. Bonds are defined as a list of
atoms (typically two) with an arbitrary type. Atoms are defined by a symbol and
a Z, and may have 3D coordinates (2D and internal coming soon).
CHANGES SINCE VERSION 0.10
- New methods for Chemistry::Mol: mass, formula, formula_hash
- New methods for Chemistry::Atom: mass
- New module: Chemistry::File::Formula
INSTALLATION
To install this module type the following:
perl Makefile.PL
make
make test
make install
DEPENDENCIES
This module requires these other modules and libraries:
- Math::VectorReal
COPYRIGHT AND LICENCE
Copyright (C) 2003 Ivan Tubert <
[email protected]>
This library is free software; you can redistribute it and/or modify
it under the same terms as Perl itself.
