Chemistry/Mol version 0.22
==========================
This toolkit includes basic objects and methods to describe molecules. It
consists of several modules: Chemistry::Mol, Chemistry::Atom, Chemistry::Bond,
and Chemistry::File. These are the core modules of the PerlMol toolkit;
see
http://www.perlmol.org/.
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 0.21
- Fixed bug where $/ was undef'ed in a nonlocal way in File.pm.
- Added formula parser contributed by Brent Gregersen.
- Added %j and %% formats to Formula.pm.
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
- Scalar::Util (already a core module since perl 5.7.3)
- Test::More (already a core module since perl 5.7.3)
COPYRIGHT AND LICENSE
Copyright (C) 2004 Ivan Tubert <
[email protected]>
This library is free software; you can redistribute it and/or modify
it under the same terms as Perl itself.
