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/*
Theseus - maximum likelihood superpositioning of macromolecular structures
Copyright (C) 2004-2014 Douglas L. Theobald
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.,
59 Temple Place, Suite 330,
Boston, MA 02111-1307 USA
-/_|:|_|_\-
*/
#ifndef THESEUSLIB_SEEN
#define THESEUSLIB_SEEN
#include "Cds.h"
int
test_charmm(CdsArray *cdsA);
void
CalcS2(CdsArray *cdsA, const int nsell, double *bxij, double *byij, double *bzij,
double *rij, double *s2, const int whoiam);
int
theseuss2_(const double *xbuf, const double *ybuf, const double *zbuf,
const int *natomx, const int *nensem, const int *nsell,
double *bxij, double *byij, double *bzij,
const int *il, const int *jl, double *rij, double *s2,
const int *ls, const int *whoiam);
int
theseus_(double *xbuf, double *ybuf, double *zbuf, int *natomx, int *nensem, int *ls);
int
MultiPoseLib(CdsArray *cdsA);
#endif
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