mirror of
https://github.com/openbabel/openbabel.git
synced 2026-08-08 20:18:08 -05:00
59 lines
2.2 KiB
Plaintext
59 lines
2.2 KiB
Plaintext
Chemistry::OpenBabel version 1.3
|
|
================================
|
|
|
|
This module provides a Perl interface to the Open Babel chemistry library.
|
|
|
|
Open Babel is a chemical toolbox designed to speak the many languages
|
|
of chemical data. It's an open, collaborative project allowing anyone
|
|
to search, convert, analyze, or store data from molecular modeling,
|
|
chemistry, solid-state materials, biochemistry, or related areas.
|
|
|
|
The code is generated using the SWIG package and provides access to
|
|
almost all of the Open Babel interfaces via Perl, including the base
|
|
classes OBMol, OBAtom, OBBond, and OBResidue, as well as the
|
|
conversion framework OBConversion, fingerprints, and force field optimization
|
|
using the open source Ghemical molecular mechanics method.
|
|
|
|
The version numbering does not always correspond to any particular release of
|
|
Open Babel. For more information on the releases of Chemistry::OpenBabel, see
|
|
the Changes file.
|
|
|
|
Future development will include a "glue module" to integrate with
|
|
PerlMol and other Perl chemistry projects.
|
|
|
|
INSTALLATION
|
|
|
|
To install this module, type the following (assuming you have already
|
|
installed Open Babel):
|
|
|
|
perl Makefile.PL
|
|
make
|
|
make test
|
|
make install
|
|
|
|
DEPENDENCIES
|
|
|
|
perl-5.6.0 or a more recent version.
|
|
openbabel-2.1 or a more recent version.
|
|
|
|
Note that if you are trying to build/run this Perl code in the Open
|
|
Babel source/build directory BEFORE you install Open Babel, you may
|
|
encounter problems if the Perl module is linked against an older
|
|
libopenbabel. If you encounter problems compiling, linking, or running
|
|
this Perl module, make sure you have run "make install" for the latest
|
|
Open Babel package and THEN rebuild this Perl module.
|
|
|
|
COPYRIGHT AND LICENSE
|
|
|
|
Copyright (C) 2005-2007 Geoffrey R. Hutchison <babel@geoffhutchison.net>
|
|
|
|
This Perl Module is part of the Open Babel project.
|
|
<http://openbabel.org/>
|
|
|
|
Open Babel is distributed under the GNU General Public License (GPL).
|
|
This program is free software; you can redistribute it and/or modify
|
|
it under the terms of the GNU General Public License as published by
|
|
the Free Software Foundation version 2 of the License. Full details
|
|
can be found in the file "COPYING" which should be included in your
|
|
distribution.
|