Chemistry/Mol version 0.20 ========================== 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 0.11 - Use Scalar::Util::weaken to avoid strong cyclic references and ensure garbage collection. - New methods for Chemistry::Mol: delete_atom, delete_bond, clone, combine, separate, distance - New methods for Chemistry::Atom: angle, dihedral, angle_deg, dihedral_deg, delete - New methods for Chemistry::Bond: delete - Chemistry::Mol can export read_mol - Chemistry::Atom can export distance, angle, dihedral 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 This library is free software; you can redistribute it and/or modify it under the same terms as Perl itself.