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bestpdb.h
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/*
$Id: bestpdb.h,v 1.7 2014/06/12 01:44:07 mp Exp $
AutoDock
Copyright (C) 2009 The Scripps Research Institute. All rights reserved.
AutoDock 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 BESTPDB
#define BESTPDB
#include "constants.h"
#include "print_rem.h"
#include "strindex.h"
#include "print_avsfld.h"
void bestpdb( const int ncluster,
const int num_in_clu[MAX_RUNS],
const int cluster[MAX_RUNS][MAX_RUNS],
const Real econf[MAX_RUNS],
const Real crd[MAX_RUNS][MAX_ATOMS][SPACE],
const char atomstuff[MAX_ATOMS][MAX_CHARS],
const int natom,
const Boole B_write_all_clusmem,
const Real ref_rms[MAX_RUNS],
const int outlev,
FILE *const logFile);
#endif