/usr/lib/emboss/include/ajpdbio.h is in emboss-lib 6.6.0-1.
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 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 | /* @include ajpdbio ***********************************************************
**
** Data structures and functions for reading and writing PDB format files.
** Includes functions for writing a Pdb object (defined in ajpdb.h).
**
** @author Copyright (c) 2004 Jon Ison
** @version $Revision: 1.12 $
** @modified $Date: 2012/04/12 20:38:09 $ by $Author: mks $
** @@
**
** This library is free software; you can redistribute it and/or
** modify it under the terms of the GNU Lesser General Public
** License as published by the Free Software Foundation; either
** version 2.1 of the License, or (at your option) any later version.
**
** This library 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.
**
** You should have received a copy of the GNU Lesser General Public
** License along with this library; if not, write to the Free Software
** Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston,
** MA 02110-1301, USA.
**
******************************************************************************/
#ifndef AJPDBIO_H
#define AJPDBIO_H
/* ========================================================================= */
/* ============================= include files ============================= */
/* ========================================================================= */
#include "ajdefine.h"
#include "ajstr.h"
#include "ajfile.h"
#include "ajdomain.h"
#include "ajpdb.h"
AJ_BEGIN_DECLS
/* ========================================================================= */
/* =============================== constants =============================== */
/* ========================================================================= */
/* @enum AjEPdbioMode *********************************************************
**
** AJAX PDB Input Output Mode enumeration for writing in PDB format
**
** @value ajEPdbioModeHeaderDomain
** Header line for domain PDB file
** @value ajEPdbioModeSeqresDomain
** SEQRES records for domain
** @value ajEPdbioModeAtomPdbDomain
** ATOM records for domain using original residue numbers
** @value ajEPdbioModeAtomIdxDomain
** ATOM records for domain using residues numbers that give correct index
** into SEQRES sequence
** @value ajEPdbioModeSeqResChain
** SEQRES records for a chain
** @value ajEPdbioModeAtomPdbChain
** ATOM records for chain using original residue numbers
** @value ajEPdbioModeAtomIdxChain
** ATOM records for domain using residues numbers that give correct index
** into SEQRES sequence
** @value ajEPdbioModeHeterogen
** ATOM line for a heterogen (small ligand)
** @value ajEPdbioModeHeader
** Header line
** @value ajEPdbioModeTitle
** Title line
** @value ajEPdbioModeCompnd
** COMPND records (info. on compound)
** @value ajEPdbioModeSource
** SOURCE records (info. on protein source)
** @value ajEPdbioModeEmptyRemark
** An empty REMARK record
** @value ajEPdbioModeResolution
** Record with resolution of the structure
** @@
******************************************************************************/
typedef enum AjOPdbioMode
{
ajEPdbioModeHeaderDomain,
ajEPdbioModeSeqresDomain,
ajEPdbioModeAtomPdbDomain,
ajEPdbioModeAtomIdxDomain,
ajEPdbioModeSeqResChain,
ajEPdbioModeAtomPdbChain,
ajEPdbioModeAtomIdxChain,
ajEPdbioModeHeterogen,
ajEPdbioModeHeader,
ajEPdbioModeTitle,
ajEPdbioModeCompnd,
ajEPdbioModeSource,
ajEPdbioModeEmptyRemark,
ajEPdbioModeResolution
} AjEPdbioMode;
/* ========================================================================= */
/* ============================== public data ============================== */
/* ========================================================================= */
/* ========================================================================= */
/* =========================== public functions ============================ */
/* ========================================================================= */
/*
** Prototype definitions
*/
/* ======================================================================= */
/* =========================== Pdb object ================================ */
/* ======================================================================= */
AjPPdb ajPdbReadRawNew(AjPFile inf, const AjPStr pdbid, ajint min_chain_size,
ajint max_mismatch, ajint max_trim, AjBool camask,
AjBool camask1, AjBool atommask, AjPFile flog);
AjBool ajPdbWriteAllRaw(AjEPdbMode mode, const AjPPdb pdb, AjPFile outf,
AjPFile errf);
AjBool ajPdbWriteDomainRaw(AjEPdbMode mode, const AjPPdb pdb,
const AjPScop scop, AjPFile outf, AjPFile errf);
AjBool ajPdbWriteRecordRaw(AjEPdbioMode mode, const AjPPdb pdb, ajint mod,
ajint chn, AjPFile outf, AjPFile errf);
AjBool ajPdbWriteDomainRecordRaw(AjEPdbioMode mode, const AjPPdb pdb,
ajint mod, const AjPScop scop,
AjPFile outf, AjPFile errf);
/*
** End of prototype definitions
*/
AJ_END_DECLS
#endif /* !AJPDBIO_H */
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