FindHetatmResidue.c

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/************************************************************************/
/**

   \file       FindHetatmResidue.c
   
   \version    V1.4
   \date       07.07.14
   \brief      Parse a residue specification
   
   \copyright  2011-2014
   \author     Dr. Andrew C. R. Martin
   \par
               Institute of Structural & Molecular Biology,
               University College London,
               Gower Street,
               London.
               WC1E 6BT.
   \par
               andrew@bioinf.org.uk
               andrew.martin@ucl.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:
   =================
-  V1.0  26.10.11 Original based on FindResidue.c
-  V1.1  24.02.14 Added BiopFindHetatmResidue() By: CTP
-  V1.2  25.02.14 Added error message for FindHetatmResidue(). By: CTP
-  V1.3  07.05.14 Moved FindHetatmResidue() to deprecated.h By: CTP
-  V1.4  07.07.14 Use bl prefix for functions By: CTP


*************************************************************************/
/* Doxygen
   -------
   #GROUP    Handling PDB Data
   #SUBGROUP Searching the PDB linked list        
   #FUNCTION  blFindHetatmResidue()
   Finds a pointer to the start of a residue in a PDB linked list, but
   requires the residue is a HETATM record
*/
/************************************************************************/
/* Includes
*/
#include <ctype.h>
#include <stdio.h>
#include <string.h>

#include "pdb.h"
#include "SysDefs.h"
#include "MathType.h"
#include "macros.h"


/************************************************************************/
/* Defines and macros
*/

/************************************************************************/
/* Globals
*/

/************************************************************************/
/* Prototypes
*/


/************************************************************************/
/*>PDB *blFindHetatmResidue(PDB *pdb, char *chain, int resnum, 
                            char *insert)
   -----------------------------------------------------------
*//**
   \param[in]  pdb    PDB linked list
   \param[in]  chain  Chain label
   \param[in]  resnum Residue number
   \param[in]  insert Insert code
   \return            Pointer to start of HET residue

   Finds a pointer to the start of a residue in a PDB linked list, but
   requires the residue is a HETATM record
   Uses string for chain and insert.

-  24.02.14 Original. By: CTP
-  07.07.14 Renamed to FindHetatmResidue().
            Use bl prefix for functions By: CTP

*/
PDB *blFindHetatmResidue(PDB *pdb, char *chain, int resnum, char *insert)
{
   PDB *p;

   for(p=pdb; p!=NULL; NEXT(p))
   {
      if((!strncmp(p->record_type,"HETATM",6)) &&
         (p->resnum    == resnum) &&
         !strncmp(p->insert,insert,1) &&
         CHAINMATCH(p->chain,chain))
     {
           return(p);
     }
   }
   return(NULL);
}