Chemistry::ESPT::Aprmcrd - AMBER prmcrd file object.
use Chemistry::ESPT::Aprmcrd; my $prmcrd = Chemistry::ESPT::Aprmcrd->new();
This module provides methods to quickly access data contained in an AMBER prmcrd file. AMBER prmcrd files can only be read currently.
All attributes are currently read-only and get populated by reading the assigned ESS file. Attribute values are accessible through the $Aprmcrd->get() method.
NATOMS x 3 matrix containing Cartesian coordinates
Method parameters denoted in [] are optional.
Creates a new Aprmcrd object
Analyze the spin results in file called filename. Spin defaults to Alpha.
0.02
Chemistry::ESPT::ESSfile, http://amber.scripps.edu
Dr. Jason L. Sonnenberg, <sonnenberg.11@osu.edu>
Copyright 2008 by Dr. Jason L. Sonnenberg
This library is free software; you can redistribute it and/or modify it under the same terms as Perl itself. I would like to hear of any suggestions for improvement.
To install Chemistry::ESPT::Glib, copy and paste the appropriate command in to your terminal.
cpanm
cpanm Chemistry::ESPT::Glib
CPAN shell
perl -MCPAN -e shell install Chemistry::ESPT::Glib
For more information on module installation, please visit the detailed CPAN module installation guide.