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Bioplib
Protein Structure C Library
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Bioplib
Protein Structure C Library
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Add C-beta atoms to glycines as pseudo-atoms for use in orientating residues. More...
#include <stdio.h>#include <math.h>#include <string.h>#include <stdlib.h>#include "MathType.h"#include "SysDefs.h"#include "pdb.h"#include "macros.h"Go to the source code of this file.
Macros | |
| #define | BONDLEN 1.524 |
| #define | ALPHA 54.7 |
Functions | |
| BOOL | blAddCBtoGly (PDB *pdb) |
| BOOL | blAddCBtoAllGly (PDB *pdb) |
| PDB * | blStripGlyCB (PDB *pdb) |
Add C-beta atoms to glycines as pseudo-atoms for use in orientating residues.
This code is NOT IN THE PUBLIC DOMAIN, but it may be copied according to the conditions laid out in the accompanying file COPYING.DOC.
The code may be modified as required, but any modifications must be documented so that the person responsible can be identified.
The code may not be sold commercially or included as part of a commercial product except as described in the file COPYING.DOC.
Based on the code from HAddPDB.c adds a C-beta to one or all glycine residues.
Definition in file GlyCB.c.
| [in,out] | *pdb | The PDB linked list |
Adds a CB atom to all glycines in a PDB linked list. This is used when one needs to orientate a residue in a common frame of reference which makes use of the CB.
| [in,out] | *pdb | The PDB linked list for a Glycine |
Adds a CB atom to a glycine. This is used when one needs to orientate a residue in a common frame of reference which makes use of the CB.
| [in,out] | *pdb | The PDB linked list |
Removes all Glycine CB pseudo-atoms added by AddGlyCB() The linked list is modified in-place, but the return value should be used in case the very first item in the linked list is a Gly-CB which will be removed by the code.
1.8.8