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Functions
StructurePDB.c File Reference

Build a structured PDB representation. More...

#include <stdlib.h>
#include "pdb.h"
#include "macros.h"

Go to the source code of this file.

Functions

PDBSTRUCT * blAllocPDBStructure (PDB *pdb)
 
void blFreePDBStructure (PDBSTRUCT *pdbstruct)
 
PDB * blFindNextChain (PDB *pdb)
 

Detailed Description

Build a structured PDB representation.

Version
V1.3
Date
07.07.14
Copyright
(c) UCL / Dr. Andrew C. R. Martin 2009-14
Author
Dr. Andrew C. R. Martin
Institute of Structural & Molecular Biology, University College London, Gower Street, London. WC1E 6BT.
andre.nosp@m.w@bi.nosp@m.oinf..nosp@m.org..nosp@m.uk andre.nosp@m.w.ma.nosp@m.rtin@.nosp@m.ucl..nosp@m.ac.uk

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.

Description:

Usage:

Revision History:

Definition in file StructurePDB.c.

Function Documentation

PDBSTRUCT* blAllocPDBStructure ( PDB *  pdb)
Parameters
[in]*pdbPDB linked list
Returns
PDBSTRUCT structure containing chain linked list

Takes a PDB linked list and converts it into a hierarchical structure of chains, residues and atoms

  • 24.11.09 Original By: ACRM
  • 19.05.10 Correctly do doubly linked lists
  • 02.06.10 Fixed some initializations!
  • 07.07.14 Use bl prefix for functions By: CTP

Definition at line 109 of file StructurePDB.c.

PDB* blFindNextChain ( PDB *  pdb)
Parameters
[in]*pdbPDB linked list
Returns
Pointer to start of next chain

Takes a PDB linked list and find the start of the next chain. This is similar to another Bioplib routine (blFindNextChainPDB()) which terminates the first chain, but this routines doesn't terminate.

  • 24.11.09 Original By: ACRM
  • 04.02.14 Use CHAINMATCH By: CTP
  • 07.07.14 Use bl prefix for functions By: CTP

Definition at line 252 of file StructurePDB.c.

void blFreePDBStructure ( PDBSTRUCT *  pdbstruct)
Parameters
[in]*pdbstructPDBSTRUCT structure containing chain linked list

Frees memory used by the hierarchical description of a PDB structure. Note this does not free the underlying PDB linked list

  • 24.11.09 Original By: ACRM
  • 07.07.14 Use bl prefix for functions By: CTP

Definition at line 219 of file StructurePDB.c.

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