README
1Chemistry/File/PDB version 0.23
2===============================
3
4This module reads and writes PDB files. The PDB file format is commonly used to
5describe proteins, particularly those stored in the Protein Data Bank
6(L<http://www.rcsb.org/pdb/>). The current version of this module only uses the
7ATOM and HETATM records, ignoring everything else.
8
9This module automatically registers the 'pdb' format with Chemistry::Mol,
10so that PDB files may be identified and read by Chemistry::Mol->read(). For
11autodetection purpuses, it assumes that files ending in .pdb or having
12a line matching /^(ATOM |HETATM)/ are PDB files.
13
14The PDB reader and writer is designed for dealing with Chemistry::MacroMol
15objects, but it can also create and use Chemistry::Mol objects by throwing some
16information away.
17
18CHANGES SINCE VERSION 0.21
19 - Add unique ID to atom names when generating from a $mol object.
20 - Also treat END as a molecule separator in multi-molecule files.
21 - Fixed insertion code bug (thanks to kparkes).
22 - Fixed memory leak.
23 - Fixed a couple of atom symbol bugs.
24 - Add a title on output.
25
26INSTALLATION
27
28To install this module type the following:
29
30 perl Makefile.PL
31 make
32 make test
33 make install
34
35DEPENDENCIES
36
37This module requires these other modules and libraries:
38
39 Chemistry::MacroMol 0.05
40 Chemistry::Mol 0.24
41
42COPYRIGHT AND LICENSE
43
44Copyright (C) 2009 Ivan Tubert-Brohman
45
46This library is free software; you can redistribute it and/or modify
47it under the same terms as Perl itself.
48
49