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FindNextResidue.c
Go to the documentation of this file.
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/************************************************************************/
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/**
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\file FindNextResidue.c
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\version V1.14
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\date 21.08.15
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\brief PDB linked list manipulation
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\copyright (c) UCL / Dr. Andrew C. R. Martin 1992-2015
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\author Dr. Andrew C. R. Martin
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\par
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Institute of Structural & Molecular Biology,
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University College London,
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Gower Street,
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London.
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WC1E 6BT.
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\par
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andrew@bioinf.org.uk
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andrew.martin@ucl.ac.uk
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**************************************************************************
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This code is NOT IN THE PUBLIC DOMAIN, but it may be copied
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according to the conditions laid out in the accompanying file
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COPYING.DOC.
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The code may be modified as required, but any modifications must be
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documented so that the person responsible can be identified.
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The code may not be sold commercially or included as part of a
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commercial product except as described in the file COPYING.DOC.
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**************************************************************************
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Description:
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============
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**************************************************************************
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Usage:
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======
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**************************************************************************
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Revision History:
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=================
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- V1.0 22.02.94 Original release
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- V1.1 23.05.94 Added FindNextChainPDB()
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- V1.2 05.10.94 KillSidechain() uses BOOL rather than int
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- V1.3 24.07.95 Added TermPDB()
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- V1.4 25.07.95 Added GetPDBChainLabels()
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- V1.5 26.09.95 Fixed bug in TermPDB()
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- V1.6 12.10.95 Added DupePDB(), CopyPDBCoords()
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- V1.7 23.10.95 Moved FindResidueSpec() to ParseRes.c
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- V1.8 10.01.96 Added ExtractZonePDB()
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- V1.9 14.03.96 Added FindAtomInRes()
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- V1.10 08.10.99 Initialised some variables
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- V1.11 04.02.14 Use CHAINMATCH By: CTP
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- V1.12 07.07.14 Use bl prefix for functions By: CTP
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- V1.13 05.03.15 Removed blFindEndPDB() since blFindNextResidue()
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replaces it and FindEndPDB() deprecates to
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blFindNextResidue()
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- V1.14 21.08.15 Use INSERTMATCH By: ACRM
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*************************************************************************/
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/* Doxygen
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-------
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#GROUP Handling PDB Data
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#SUBGROUP Searching the PDB linked list
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#FUNCTION blFindNextResidue()
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Finds a pointer to the the start of the next residue in a PDB
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linked list.
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*/
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/************************************************************************/
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/* Includes
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*/
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#include <math.h>
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#include <stdlib.h>
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#include "
MathType.h
"
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#include "
SysDefs.h
"
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#include "
pdb.h
"
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#include "
macros.h
"
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#include "
general.h
"
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/************************************************************************/
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/* Defines and macros
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*/
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/************************************************************************/
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/* Globals
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*/
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/************************************************************************/
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/* Prototypes
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*/
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/************************************************************************/
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/*>PDB *blFindNextResidue(PDB *pdb)
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--------------------------------
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*/
/**
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\param[in] *pdb PDB linked list
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\return Next residue in PDB linked list or NULL if
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there is none.
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Finds the next residue in a PDB linked list.
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- 08.08.95 Original By: ACRM
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- 04.02.14 Use CHAINMATCH By: CTP
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- 07.07.14 Use bl prefix for functions By: CTP
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- 21.08.15 Use INSERTMATCH By: ACRM
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*/
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PDB
*
blFindNextResidue
(
PDB
*pdb)
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{
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PDB
*p;
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for
(p=pdb; p!=
NULL
;
NEXT
(p))
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{
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if
((p->
resnum
!= pdb->
resnum
) ||
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!
INSERTMATCH
(p->
insert
, pdb->
insert
) ||
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!
CHAINMATCH
(p->
chain
,pdb->
chain
))
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return
(p);
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}
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return
(
NULL
);
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}
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pdb.h
Include file for PDB routines.
pdb_entry::resnum
int resnum
Definition:
pdb.h:310
NULL
#define NULL
Definition:
array2.c:99
pdb_entry
Definition:
pdb.h:298
NEXT
#define NEXT(x)
Definition:
macros.h:249
macros.h
Useful macros.
INSERTMATCH
#define INSERTMATCH(ins1, ins2)
Definition:
pdb.h:496
general.h
Header file for general purpose routines.
CHAINMATCH
#define CHAINMATCH(chain1, chain2)
Definition:
pdb.h:495
SysDefs.h
System-type variable type definitions.
blFindNextResidue
PDB * blFindNextResidue(PDB *pdb)
Definition:
FindNextResidue.c:117
MathType.h
Type definitions for maths.
pdb_entry::chain
char chain[blMAXCHAINLABEL]
Definition:
pdb.h:321
pdb_entry::insert
char insert[8]
Definition:
pdb.h:320
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