Bioplib
Protein Structure C Library
 All Data Structures Files Functions Variables Typedefs Macros Pages
FindNextResidue.c
Go to the documentation of this file.
1 /************************************************************************/
2 /**
3 
4  \file FindNextResidue.c
5 
6  \version V1.14
7  \date 21.08.15
8  \brief PDB linked list manipulation
9 
10  \copyright (c) UCL / Dr. Andrew C. R. Martin 1992-2015
11  \author Dr. Andrew C. R. Martin
12  \par
13  Institute of Structural & Molecular Biology,
14  University College London,
15  Gower Street,
16  London.
17  WC1E 6BT.
18  \par
19  andrew@bioinf.org.uk
20  andrew.martin@ucl.ac.uk
21 
22 **************************************************************************
23 
24  This code is NOT IN THE PUBLIC DOMAIN, but it may be copied
25  according to the conditions laid out in the accompanying file
26  COPYING.DOC.
27 
28  The code may be modified as required, but any modifications must be
29  documented so that the person responsible can be identified.
30 
31  The code may not be sold commercially or included as part of a
32  commercial product except as described in the file COPYING.DOC.
33 
34 **************************************************************************
35 
36  Description:
37  ============
38 
39 
40 **************************************************************************
41 
42  Usage:
43  ======
44 
45 **************************************************************************
46 
47  Revision History:
48  =================
49 - V1.0 22.02.94 Original release
50 - V1.1 23.05.94 Added FindNextChainPDB()
51 - V1.2 05.10.94 KillSidechain() uses BOOL rather than int
52 - V1.3 24.07.95 Added TermPDB()
53 - V1.4 25.07.95 Added GetPDBChainLabels()
54 - V1.5 26.09.95 Fixed bug in TermPDB()
55 - V1.6 12.10.95 Added DupePDB(), CopyPDBCoords()
56 - V1.7 23.10.95 Moved FindResidueSpec() to ParseRes.c
57 - V1.8 10.01.96 Added ExtractZonePDB()
58 - V1.9 14.03.96 Added FindAtomInRes()
59 - V1.10 08.10.99 Initialised some variables
60 - V1.11 04.02.14 Use CHAINMATCH By: CTP
61 - V1.12 07.07.14 Use bl prefix for functions By: CTP
62 - V1.13 05.03.15 Removed blFindEndPDB() since blFindNextResidue()
63  replaces it and FindEndPDB() deprecates to
64  blFindNextResidue()
65 - V1.14 21.08.15 Use INSERTMATCH By: ACRM
66 
67 *************************************************************************/
68 /* Doxygen
69  -------
70  #GROUP Handling PDB Data
71  #SUBGROUP Searching the PDB linked list
72 
73  #FUNCTION blFindNextResidue()
74  Finds a pointer to the the start of the next residue in a PDB
75  linked list.
76 */
77 /************************************************************************/
78 /* Includes
79 */
80 #include <math.h>
81 #include <stdlib.h>
82 
83 #include "MathType.h"
84 #include "SysDefs.h"
85 #include "pdb.h"
86 #include "macros.h"
87 #include "general.h"
88 
89 /************************************************************************/
90 /* Defines and macros
91 */
92 
93 /************************************************************************/
94 /* Globals
95 */
96 
97 /************************************************************************/
98 /* Prototypes
99 */
100 
101 /************************************************************************/
102 /*>PDB *blFindNextResidue(PDB *pdb)
103  --------------------------------
104 *//**
105 
106  \param[in] *pdb PDB linked list
107  \return Next residue in PDB linked list or NULL if
108  there is none.
109 
110  Finds the next residue in a PDB linked list.
111 
112 - 08.08.95 Original By: ACRM
113 - 04.02.14 Use CHAINMATCH By: CTP
114 - 07.07.14 Use bl prefix for functions By: CTP
115 - 21.08.15 Use INSERTMATCH By: ACRM
116 */
118 {
119  PDB *p;
120 
121  for(p=pdb; p!=NULL; NEXT(p))
122  {
123  if((p->resnum != pdb->resnum) ||
124  !INSERTMATCH(p->insert, pdb->insert) ||
125  !CHAINMATCH(p->chain,pdb->chain))
126  return(p);
127  }
128 
129  return(NULL);
130 }
131 
Include file for PDB routines.
int resnum
Definition: pdb.h:310
#define NULL
Definition: array2.c:99
Definition: pdb.h:298
#define NEXT(x)
Definition: macros.h:249
Useful macros.
#define INSERTMATCH(ins1, ins2)
Definition: pdb.h:496
Header file for general purpose routines.
#define CHAINMATCH(chain1, chain2)
Definition: pdb.h:495
System-type variable type definitions.
PDB * blFindNextResidue(PDB *pdb)
Type definitions for maths.
char chain[blMAXCHAINLABEL]
Definition: pdb.h:321
char insert[8]
Definition: pdb.h:320