/usr/include/mmdb/mmdb_tables.h is in libmmdb-dev 1.25.5-2.
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 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 | // $Id: mmdb_tables.h,v 1.26 2012/01/26 17:52:21 ekr Exp $
// =================================================================
//
// 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.
//
// =================================================================
//
// 04.02.09 <-- Date of Last Modification.
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// -----------------------------------------------------------------
//
// **** Module : MMDBF_Tables <interface>
// ~~~~~~~~~
// **** Project : MacroMolecular Data Base (MMDB)
// ~~~~~~~~~
//
// **** Functions :
// ~~~~~~~~~~~
//
// **** Constants : AName ( array of 2-character atom names )
// ~~~~~~~~~~~ HAName ( array of 2=character heteroatom names )
// RName ( 3-characters amino acid names )
// RName1 ( 1-characters amino acid names )
//
//
// (C) E. Krissinel 2000-2009
//
// =================================================================
//
#ifndef __MMDB_Tables__
#define __MMDB_Tables__
#ifndef __MatType__
#include "mattype_.h"
#endif
// =================================================================
#define nElementNames 117
#define nElementMetals 91
#define nHydAtomNames 14
extern cpstr const ElementName [nElementNames];
extern cpstr const ElementMetal [nElementMetals];
extern cpstr const HydAtomName [nHydAtomNames];
extern realtype const MolecWeight [nElementNames];
extern realtype const CovalentRadius[nElementNames];
extern realtype const VdWaalsRadius [nElementNames];
extern realtype const IonicRadius [nElementNames];
extern Boolean isMetal ( cpstr element );
#define ELEMENT_UNKNOWN -1
extern int getElementNo ( cpstr element );
extern realtype getMolecWeight ( cpstr element );
extern realtype getCovalentRadius ( cpstr element );
extern realtype getVdWaalsRadius ( cpstr element );
#define nResNames 26
extern cpstr const ResidueName [nResNames];
extern char const ResidueName1[nResNames];
extern int getResidueNo ( cpstr resName );
#define nSolventNames 12
#define nAminoacidNames 23
#define nNucleotideNames 24
DefineStructure(SAAProperty)
struct SAAProperty {
char name[4];
realtype hydropathy;
realtype charge;
realtype relSolvEnergy;
};
extern SAAProperty const AAProperty[nAminoacidNames];
extern int const AASimilarity[nAminoacidNames][nAminoacidNames];
extern int GetAAPIndex ( cpstr resName ); // 0..nAminoacidNames-1
extern realtype GetAAHydropathy ( cpstr resName ); // -4.5...+4.5
extern realtype GetAACharge ( cpstr resName );
extern realtype GetAASolvationEnergy ( cpstr resName );
extern int GetAASimilarity ( cpstr resName1,
cpstr resName2 ); // 0..5
extern cpstr const StdSolventName[nSolventNames];
//extern pstr const AminoacidName [nAminoacidNames];
extern cpstr const NucleotideName[nNucleotideNames];
extern Boolean isSolvent ( cpstr resName );
extern Boolean isAminoacid ( cpstr resName );
extern Boolean isNucleotide ( cpstr resName );
extern int isDNARNA ( cpstr resName ); // 0,1(DNA),2(RNA)
extern Boolean isSugar ( cpstr resName );
extern void Get1LetterCode ( cpstr res3name, pstr res1code );
extern void Get3LetterCode ( cpstr res1name, pstr res3code );
#endif
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