/usr/include/mmdb/mmdb_manager.h is in libmmdb-dev 1.23.2.1-0ubuntu1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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//
// CCP4 Coordinate Library: support of coordinate-related
// functionality in protein crystallography applications.
//
// Copyright (C) Eugene Krissinel 2000-2008.
//
// This library is free software: you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License version 3, modified in accordance with the provisions
// of the license to address the requirements of UK law.
//
// You should have received a copy of the modified GNU Lesser
// General Public License along with this library. If not, copies
// may be downloaded from http://www.ccp4.ac.uk/ccp4license.php
//
// 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 Lesser General Public License for more details.
//
// =================================================================
//
// 17.03.09 <-- Date of Last Modification.
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// -----------------------------------------------------------------
//
// **** Module : mmdb_manager <interface>
// ~~~~~~~~~
// Project : MacroMolecular Data Base (MMDB)
// ~~~~~~~~~
// **** Classes : CMMDBManager ( MMDB file manager )
// ~~~~~~~~~
//
// (C) E. Krissinel 2000-2009
//
// =================================================================
//
#ifndef __MMDB_Manager__
#define __MMDB_Manager__
#ifndef __MMDB_BondMngr__
#include "mmdb_bondmngr.h"
#endif
// ======================= CMMDBManager ===========================
// copy masks
#define MMDBFCM_All 0xFFFFFFFF
#define MMDBFCM_Title 0x00000001
#define MMDBFCM_TitleKeepBM 0x00000002
#define MMDBFCM_Cryst 0x00000004
#define MMDBFCM_Coord 0x00000008
#define MMDBFCM_SecStruct 0x00000010
#define MMDBFCM_HetInfo 0x00000020
#define MMDBFCM_Links 0x00000040
#define MMDBFCM_CisPeps 0x00000080
#define MMDBFCM_SA 0x00000100
#define MMDBFCM_SB 0x00000200
#define MMDBFCM_SC 0x00000400
#define MMDBFCM_Footnotes 0x00000800
#define MMDBFCM_ChainAnnot 0x00001000
#define MMDBFCM_Flags 0x00002000
#define MMDBFCM_Buffer 0x80000000
#define MMDBFCM_Top 0xFFFFFFF7
DefineStreamFunctions(CMMDBManager)
class CMMDBManager : public CMMDBBondManager {
public :
CMMDBManager ();
CMMDBManager ( RPCStream Object );
~CMMDBManager();
// --------------- Copying/Deleting -----------------------
// Copy(..) will transfer different sort of information
// between two MMDB's according to the copy mask given
// (cf. MMDBFCM_XXXXX values). Note that the copying content
// replaces the corresponding information (e.g. copying
// coordinates will replace existing coordinates rather than
// add to them).
void Copy ( PCMMDBManager MMDB, word CopyMask );
// Delete(..) deletes different sort of information from
// the MMDB according to the delete mask given.
void Delete ( word DelMask ); // DelMask is the same as CopyMask
PCTitleContainer GetRemarks();
realtype GetResolution(); // -1.0 means no resolution record in file
int ParseBiomolecules(); // returns the number of biomolecules,
// -2 for general format error
// -3 for errors in BIOMT records
int GetNofBiomolecules();
void GetBiomolecules ( PPCBiomolecule & BM, int & nBMs );
PCBiomolecule GetBiomolecule ( int bmNo ); // bmno=0,1,..
// returns NULL if bmNo is incorrect
PCMMDBManager MakeBiomolecule ( int bmNo, int modelNo=1 );
protected :
// --------------- Stream I/O -----------------------------
void write ( RCFile f );
void read ( RCFile f );
};
#endif
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