README
1Chemistry::3DBuilder 0.10
2=========================
3
4This module generates a three-dimensional molecular structure from a connection
5table, such as that obtained by a 2D representation of the molecule or from a
6SMILES string.
7
8NOTE: this module is still at a very early stage of development so it has
9important limitations. 1) It doesn't handle rings or stereochemistry yet! 2)
10The bond lengths and atoms are very approximate as they don't really account
11for different elements. 3) Only the sp3, sp2, and sp hybridizations are
12supported.
13
14INSTALLATION
15
16To install this module type the following:
17
18 perl Makefile.PL
19 make
20 make test
21 make install
22
23DEPENDENCIES
24
25This module requires these other modules and libraries:
26 Math::VectorReal 1.00
27 Chemistry::Mol 0.33
28 Chemistry::InternalCoords 0.18
29 Chemistry::Ring 0.18
30 Chemistry::Pattern 0.25
31 Chemistry::File::SMILES 0.43
32 Chemistry::File::SMARTS 0.21
33
34COPYRIGHT AND LICENSE
35
36Copyright (C) 2005 Ivan Tubert-Brohman <itub@cpan.org>
37
38This library is free software; you can redistribute it and/or modify
39it under the same terms as Perl itself.
40
41