Chemistry/Mol version 0.10
==========================

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 0.05

- New methods for Chemistry::Mol: atoms, bonds, by_id, atoms_by_name
- New methods for Chemistry::Atom: distance
- New methods for Chemistry::Obj: del_attr
- New subroutines for Chemistry::Mol: read_mol, register_type
- New class method for Mol, Atom, and Bond: reset_id

INCOMPATIBLE CHANGES SINCE VERSION 0.06

- Changed File I/O API. It should be more stable now, but it's certainly not
frozen yet.
- Chemistry::Mol->atoms() and bonds() now use 1-based indexing instead of
zero-based.
- Now Chemistry::Obj overloads cmp instead of ==. Note that this overloading
behavior was undocumented, so it shouldn't cause a problem.


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 <itub@cpan.org>

This library is free software; you can redistribute it and/or modify
it under the same terms as Perl itself. 

