HackaMol::MolReadRole - Read XYZ and PDB files
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");
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.
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
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.
takes the name of the file as input, parses the xyz file to return the list of built Atom objects.
Demian Riccardi <email@example.com>
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.