Chemistry/File/PDB version 0.23
===============================
This module reads and writes PDB files. The PDB file format is commonly used to
describe proteins, particularly those stored in the Protein Data Bank
(L<http://www.rcsb.org/pdb/>). The current version of this module only uses the
ATOM and HETATM records, ignoring everything else.
This module automatically registers the 'pdb' format with Chemistry::Mol,
so that PDB files may be identified and read by Chemistry::Mol->read(). For
autodetection purpuses, it assumes that files ending in .pdb or having
a line matching /^(ATOM |HETATM)/ are PDB files.
The PDB reader and writer is designed for dealing with Chemistry::MacroMol
objects, but it can also create and use Chemistry::Mol objects by throwing some
information away.
CHANGES SINCE VERSION 0.21
- Add unique ID to atom names when generating from a $mol object.
- Also treat END as a molecule separator in multi-molecule files.
- Fixed insertion code bug (thanks to kparkes).
- Fixed memory leak.
- Fixed a couple of atom symbol bugs.
- Add a title on output.
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:
Chemistry::MacroMol 0.05
Chemistry::Mol 0.24
COPYRIGHT AND LICENSE
Copyright (C) 2009 Ivan Tubert-Brohman
This library is free software; you can redistribute it and/or modify
it under the same terms as Perl itself.