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

This library is free software; you can redistribute it and/or modify it under the same terms as Perl itself.