NAME
HackaMol::MolReadRole - Read XYZ and PDB files
VERSION
version 0.00_06
SYNOPSIS
use HackaMol;
my $hack = HackaMol->new( name => "hackitup" ); my @atoms1 = $hack->read_file_atoms("t/lib/1L2Y.pdb"); my @atoms2 = $hack->read_file_atoms("t/lib/something.xyz");
DESCRIPTION
The HackaMol::MolReadRole role provided methods for reading common structural files. Currently, pdb and xyz are provided in the core, but others will be likely added.
METHODS
read_file_atoms
takes the name of the file as input, parses the file, builds Atom objects, and returns them. Matches the filename extension and calls on either read_pdb_atoms or read_xyz_atoms
read_pdb_atoms
takes the name of the file as input, parses the pdb file to return the list of built Atom objects. This is a barebones parser. A more advanced PDB parser will be released soon as an extension.
read_xyz_atoms
takes the name of the file as input, parses the xyz file to return the list of built Atom objects.
SEE ALSO
AUTHOR
Demian Riccardi <demianriccardi@gmail.com>
COPYRIGHT AND LICENSE
This software is copyright (c) 2013 by Demian Riccardi.
This is free software; you can redistribute it and/or modify it under the same terms as the Perl 5 programming language system itself.