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TranslatePDB.c
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1 /************************************************************************/
2 /**
3 
4  \file TranslatePDB.c
5 
6  \version V1.3
7  \date 07.07.14
8  \brief
9 
10  \copyright (c) UCL / Dr. Andrew C. R. Martin 1993-8
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 - V1.1 01.03.94 Original
50 - V1.2 27.02.98 Removed unreachable break from switch()
51 - V1.3 07.07.14 Use bl prefix for functions By: CTP
52 
53 *************************************************************************/
54 /* Doxygen
55  -------
56  #GROUP Handling PDB Data
57  #SUBGROUP Moving the structure
58  #FUNCTION blTranslatePDB()
59  Translates a PDB linked list, ignoring null (9999.0) coordinates.
60 */
61 /************************************************************************/
62 /* Includes
63 */
64 #include "MathType.h"
65 #include "pdb.h"
66 #include "macros.h"
67 
68 /************************************************************************/
69 /* Defines and macros
70 */
71 
72 /************************************************************************/
73 /* Globals
74 */
75 
76 /************************************************************************/
77 /* Prototypes
78 */
79 
80 
81 /************************************************************************/
82 /*>void blTranslatePDB(PDB *pdb,VEC3F tvect)
83  -----------------------------------------
84 *//**
85 
86  \param[in,out] *pdb PDB linked list to move
87  \param[in] tvect Translation vector
88 
89  Translates a PDB linked list, ignoring null (9999.0) coordinates.
90 
91 - 01.10.92 Original
92 - 11.03.94 Changed check on 9999.0 to >9998.0 and cast to REAL
93 - 07.07.14 Use bl prefix for functions By: CTP
94 */
95 void blTranslatePDB(PDB *pdb,
96  VEC3F tvect)
97 {
98  PDB *p;
99 
100  for(p=pdb; p!=NULL; NEXT(p))
101  {
102  if(p->x < (REAL)9999.0 && p->y < (REAL)9999.0 && p->z < (REAL)9999.0)
103  {
104  p->x += tvect.x;
105  p->y += tvect.y;
106  p->z += tvect.z;
107  }
108  }
109 }
110 
pdb.h
Include file for PDB routines.
VEC3F::x
REAL x
Definition: MathType.h:70
blTranslatePDB
void blTranslatePDB(PDB *pdb, VEC3F tvect)
Definition: TranslatePDB.c:95
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.
VEC3F
Definition: MathType.h:69
REAL
double REAL
Definition: MathType.h:67
pdb_entry::z
REAL z
Definition: pdb.h:300
MathType.h
Type definitions for maths.
VEC3F::z
REAL z
Definition: MathType.h:70
VEC3F::y
REAL y
Definition: MathType.h:70
pdb_entry::x
REAL x
Definition: pdb.h:300
pdb_entry::y
REAL y
Definition: pdb.h:300
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