Chemistry::3DBuilder 0.10
=========================
This module generates a three-dimensional molecular structure from a connection
table, such as that obtained by a 2D representation of the molecule or from a
SMILES string.
NOTE: this module is still at a very early stage of development so it has
important limitations. 1) It doesn't handle rings or stereochemistry yet! 2)
The bond lengths and atoms are very approximate as they don't really account
for different elements. 3) Only the sp3, sp2, and sp hybridizations are
supported.
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 1.00
Chemistry::Mol 0.33
Chemistry::InternalCoords 0.18
Chemistry::Ring 0.18
Chemistry::Pattern 0.25
Chemistry::File::SMILES 0.43
Chemistry::File::SMARTS 0.21
COPYRIGHT AND LICENSE
Copyright (C) 2005 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.