.. : MolMod is a collection of molecular modelling tools for python. : Copyright (C) 2007 - 2019 Toon Verstraelen , Center : for Molecular Modeling (CMM), Ghent University, Ghent, Belgium; all rights : reserved unless otherwise stated. : : This file is part of MolMod. : : MolMod 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; either version 3 : of the License, or (at your option) any later version. : : MolMod is distributed in the hope that it will be useful, : but WITHOUT ANY WARRANTY; without even the implied warranty of : MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the : GNU General Public License for more details. : : You should have received a copy of the GNU General Public License : along with this program; if not, see : : -- Basic classes ============= :mod:`molmod.molecules` -- Molecular systems -------------------------------------------- Although the name of the class :class:`Molecule` is singular, it is equally suitable for a cluster or complex with multiple molecules, or even a complete unit cell of a periodic system. .. automodule:: molmod.molecules :members: :mod:`molmod.graphs` -- Abstract graphs --------------------------------------- .. automodule:: molmod.graphs :members: :mod:`molmod.molecular_graphs` -- Molecular graphs -------------------------------------------------- This is an extension of the Graph object with molecular features. .. automodule:: molmod.molecular_graphs :members: :mod:`molmod.unit_cells` -- Periodic boundary conditions -------------------------------------------------------- .. automodule:: molmod.unit_cells :members: :mod:`molmod.transformations` Transformations in 3D --------------------------------------------------- .. automodule:: molmod.transformations :members: