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Demian Riccardi
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NAME

HackaMol::Roles::ReadPdbxRole - parse PDBx/mmCIF files

VERSION

version 0.050

SYNOPSIS

   my @atoms = HackaMol->new
                       ->read_cif_atoms("some.cif");

DESCRIPTION

The HackaMol::Roles::ReadPdbxRole provides methods (such as read_cif_atoms for building HM atoms) for pulling information from PDBx/mmcif. More info available in cif and more attributes are populated than via ReadPdbRole.

METHODS

read_pdb_atoms

One argument: the filehandle Returns a list of HackaMol::Atom objects.

The implementation differs from the PDB parser in how models are handled. Each atom tracks the model number through the model_num attribute; the read_pdb_atoms adds configurations to each subsequent atom into t (with identical metadata) as model number increases. Still considering the best way to handle this.

SEE ALSO

AUTHOR

Demian Riccardi <demianriccardi@gmail.com>

COPYRIGHT AND LICENSE

This software is copyright (c) 2017 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.