This module reads Q-Chem output files. It automatically registers the 'qchemout' format with Chemistry::Mol, so that Q-Chem outuput files may be identified and read using Chemistry::Mol->read().
The current version of this reader simply extracts the cartesian coordinates and symbols from the Q-Chem outuput file. All other information is ignored.
INSTALLATION
To install this module type the following:
perl Makefile.PL
make
make test
make install
DEPENDENCIES
This module requires these other modules and libraries:
Chemistry::Mol 0.24
COPYRIGHT AND LICENSE
Copyright (C) 2004 Ivan Tubert-Brohman <itub@cpan.org>
This library is free software; you can redistribute it and/or modify it under the same terms as Perl itself.