README
1PerlMol version 0.3500
2======================
3
4PerlMol is a collection of Perl modules for chemoinformatics and computational
5chemistry with the philosophy that "simple things should be simple". It should
6be possible to write one-liners that use this toolkit to do meaningful
7"molecular munging". The perlmol toolkit provides objects and methods for
8representing molecules, atoms, and bonds in Perl; doing substructure matching;
9and reading and writing files in various formats.
10
11This is a bundle containing all of the modules of the PerlMol Project and their
12dependencies.
13
14CONTENTS AND CHANGES SINCE VERSION 0.3200
15
16 (See the Changes file for more details.)
17
18 * NEW!!! Added an examples/ directory
19
20 New distributions:
21 Chemistry-File-VRML 0.10
22 Chemistry-3DBuilder 0.10
23
24 Changed versions:
25 Chemistry-Mol 0.35
26 Chemistry-Mok 0.25
27 Chemistry-File-SMILES 0.44
28 Chemistry-File-SMARTS 0.22
29 Chemistry-File-PDB 0.21
30 Chemistry-Pattern 0.26
31 Chemistry-MidasPattern 0.11
32 Chemistry-File-MDLMol 0.20
33 Chemistry-Isotope 0.11
34
35 Unchanged versions:
36 Chemistry-InternalCoords 0.18
37 Chemistry-MacroMol 0.06
38 Chemistry-Ring 0.18
39 Chemistry-Canonicalize 0.10
40 Chemistry-Bond-Find 0.21
41 Chemistry-File-SLN 0.10
42 Chemistry-FormulaPattern 0.10
43 Chemistry-File-Mopac 0.15
44 Chemistry-File-XYZ 0.11
45 Math-VectorReal 1.02
46 Statistics-Regression 0.15
47 Parse-Yapp 1.05
48
49INSTALLATION
50
51To install this module type the following:
52
53 perl Makefile.PL
54 make
55 make test
56 make install
57
58DEPENDENCIES
59
60 perl-5.6.0 or a more recent version.
61
62If you have perl-5.8.0 (or a more recent version), this bundle has everything
63you need. If you have an earlier version of Perl, you also need these core
64modules:
65
66 Test::Simple 0.45
67 Scalar::Util 1.07
68 Storable 2.04
69 Text::Balanced 1.89
70
71COPYRIGHT AND LICENSE
72
73Copyright (C) 2005 Ivan Tubert-Brohman <itub@cpan.org>
74
75This library is free software; you can redistribute it and/or modify
76it under the same terms as Perl itself.
77
78