Demian Riccardi > HackaMol-0.00_07 > HackaMol::MolReadRole

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Source   Latest Release: HackaMol-0.00_20

NAME ^

HackaMol::MolReadRole - Read XYZ and PDB files

VERSION ^

version 0.00_07

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.

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