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/.
CHANGES SINCE VERSION 0.36
- Parse non-integer formulas (Daniel Scott).
- Fixed some typos.
- Fixed bug in Chemistry::File, where $self->mols wasn't updated
during the read loop.
- Fixed bug where $atom->symbol tried to modify the symbol given
(which crashed when the symbol was a constant!)
- Added an undocumented "next_id" method (Liliana Felix Avila).
- Documented the descriptor methods that existed since 0.36 but were
undocumented.
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:
- perl-5.6.0 or more recent (5.8.0+ recommended)
- Math::VectorReal
- Scalar::Util (already a core module since perl 5.7.3)
- Test::More (already a core module since perl 5.7.3)
- Text::Balanced (already a core module since perl 5.7.3)
- IO::String (required only for versions of perl prior to 5.8.0)
The following modules are optional, but are required by certain functions:
- Chemistry::InternalCoords
- Compress::Zlib
- Chemistry::Isotope
COPYRIGHT AND LICENSE
Copyright (C) 2009 Ivan Tubert-Brohman <itub@cpan.org>
This library is free software; you can redistribute it and/or modify
it under the same terms as Perl itself.