/usr/include/clipper/minimol/minimol_data.h is in libclipper-dev 2.1.20130601-2.1ubuntu1.
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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 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 | /*! \file minimol_data.h
Header file for atomic model data */
//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
//L
//L This library is free software and is distributed under the terms
//L and conditions of version 2.1 of the GNU Lesser General Public
//L Licence (LGPL) with the following additional clause:
//L
//L `You may also combine or link a "work that uses the Library" to
//L produce a work containing portions of the Library, and distribute
//L that work under terms of your choice, provided that you give
//L prominent notice with each copy of the work that the specified
//L version of the Library is used in it, and that you include or
//L provide public access to the complete corresponding
//L machine-readable source code for the Library including whatever
//L changes were used in the work. (i.e. If you make changes to the
//L Library you must distribute those, but you do not need to
//L distribute source or object code to those portions of the work
//L not covered by this licence.)'
//L
//L Note that this clause grants an additional right and does not impose
//L any additional restriction, and so does not affect compatibility
//L with the GNU General Public Licence (GPL). If you wish to negotiate
//L other terms, please contact the maintainer.
//L
//L You can redistribute it and/or modify the library under the terms of
//L the GNU Lesser General Public License as published by the Free Software
//L Foundation; either version 2.1 of the License, or (at your option) any
//L later version.
//L
//L This library is distributed in the hope that it will be useful, but
//L WITHOUT ANY WARRANTY; without even the implied warranty of
//L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
//L Lesser General Public License for more details.
//L
//L You should have received a copy of the CCP4 licence and/or GNU
//L Lesser General Public License along with this library; if not, write
//L to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
//L The GNU Lesser General Public can also be obtained by writing to the
//L Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston,
//L MA 02111-1307 USA
#ifndef CLIPPER_MINIMOL_DATA
#define CLIPPER_MINIMOL_DATA
#include "../core/clipper_precision.h"
namespace clipper {
namespace data {
struct Rotamer_data {
const char* resname;
int num_rota, rota;
ftype32 rota_prob;
int num_atom;
const char* atomname;
ftype32 x, y, z;
};
extern Rotamer_data rotamer_data_dunbrack[];
extern int rotamer_data_dunbrack_size;
extern Rotamer_data rotamer_data_richardson[];
extern int rotamer_data_richardson_size;
} // namespace data
} // namespace clipper
#endif
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