Copyright (c) 2006,2007,2008,2009, University of Washington (dacb@u.washington.edu) All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the University of Washington nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY UNIVERSITY OF WASHINGTON ''AS IS'' AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL UNIVERSITY OF WASHINGTON BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. Molecular Mechanics Parameter Library (MMPL) Primary Key Constraint for atom. Primary Key Constraint for group. Primary Key Constraint for residue. Primary Key Constraint for g elements within residue/groups, prevents duplicate g elements. Primary Key Constraint for b elements within residue/bonds, prevents duplicate b elements. Digital object identifier Atom type information, note that charges are on groups van der Waals radius (Angstroms) atomic mass (amu) Group type information, a collection of atoms that are involved in a charge configuration Residue type information, a collection of groups Molecule type information, a collection of residues Bond list item for bonds that involve only atoms in a group Bond list item for bonds that involve only groups in a residue Bond list item for bonds that involve only residues in a molecule Bond type parameters, used to parameterize lists of bonds Angle type parameters, used to parameterize angles in groups, residues, and molecules Torsion angle type parameters, used to paramterize torsions in groups, residues and molecules