1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
|
/*
$Id: cnv_state_to_coords.h,v 1.10 2012/04/05 01:39:31 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 CNV_STATE_TO_COORDS
#define CNV_STATE_TO_COORDS
#include "constants.h"
#include "torsion.h"
#include "qtransform.h"
void cnv_state_to_coords( const State& now,
const Real vt[MAX_TORS][SPACE],
const int tlist[MAX_TORS+1][MAX_ATOMS],
const int ntor,
const Real crdpdb[MAX_ATOMS][SPACE],
/* not const */ Real crd[MAX_ATOMS][SPACE],
const int natom,
const int true_ligand_atoms,
const int outlev,
FILE *logFile);
#endif
|