/usr/include/clipper/minimol/minimol_io.h is in libclipper-dev 2.1.20130601-2.1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 | /*! \file minimol_io.h
Header file for atomic model io types */
//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
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//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.
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//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
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#ifndef CLIPPER_MINIMOL_IO
#define CLIPPER_MINIMOL_IO
#include "../mmdb/clipper_mmdb.h"
#include "minimol_seq.h"
namespace clipper {
//! MMDB file object for MiniMol i/o
/*! This object is an i/o object for MiniMol, representing an
interface between MiniMol and PDB or CIF files. It is implemented
as an MMDB Manager, so MMDB methods may be additionally used on
the MMDBfile object. */
class MMDBfile : public MMDBManager
{
public:
//! load MMDB hierarchy from file
void read_file( const String& file );
//! save MMDB hierarchy to file
void write_file( const String& file, TYPE type = Default );
//! import MiniMol from MMDB hierarchy
void import_minimol( MiniMol& minimol, const int hnd=-1 );
//! export MiniMol to MMDB hierarchy
void export_minimol( const MiniMol& minimol );
};
//! SEQ file object for MiniMol sequence i/o
class SEQfile
{
public:
//! load SEQ data from file
void read_file( const String& file );
//! read a single sequence from the SEQ file
void import_polymer_sequence( MPolymerSequence& target );
//! read a molecule from the SEQ file
void import_molecule_sequence( MMoleculeSequence& target );
private:
String contents;
};
} // namespace clipper
#endif
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