/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2010 University of Bonn. All rights reserved. * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. */ /** * \file fileformats.dox * * Created on: Oct 31, 2011 * Author: heber */ /** * \page fileformats Known File Types * * The supported output formats right now are: * -# mpqc: Configuration files of the Massively Parallel Quantum Chemistry package (Sandia labs) * -# pcp: Configuration files of the Parallel Car-Parrinello program (Institute for Numerical Simulation) * -# pdp: Configuration files of the Protein Data Base * -# psi3: Configuration files of the Psi3 package * -# tremolo: Configuration files of TREMOLO (Institute for Numerical Simulation) * -# xyz: the most basic format for the 3d arrangement of atoms consisting of a list of element and 3 coordinates. * * * \date 2011-10-31 * */