calc_vina_potential.h

/*

 $Id: calc_vina_potential.h,v 1.1 2011/09/02 17:55:21 rhuey Exp $

 AutoGrid 

Copyright (C) 2011 The Scripps Research Institute. All rights reserved.

 AutoGrid is a Trade Mark of The Scripps Research Institute.

 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; either version 2
 of the License, or (at your option) any later version.

 This program 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, write to the Free Software
 Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA.

 */

#ifndef _CALCVINAPOTENTIAL
#define _CALCVINAPOTENTIAL

#include "structs.h"

int calc_vina_potential( const int num_ligand_types, 
                          const char ligand_types[][3], 
                          const int num_receptor_types, 
                          const char receptor_types[][3], 
                          EnergyTables *const p_et);
#endif