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Functions
KillPDB.c File Reference
#include <stdlib.h>
#include "SysDefs.h"
#include "pdb.h"

Go to the source code of this file.

Functions

PDBblDeleteAtomRangePDB (PDB *pdb, PDB *start, PDB *stop)
 
PDBblDeleteAtomPDB (PDB *pdb, PDB *atom)
 
PDBblKillPDB (PDB *pdb, PDB *prev)
 
PDBblDeleteResiduePDB (PDB **pPDB, PDB *res)
 

Detailed Description

Version
V1.12
Date
30.09.17
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 KillPDB.c.

Function Documentation

PDB* blDeleteAtomPDB ( PDB pdb,
PDB atom 
)
Parameters
[in]*pdbStart of PDB linked list
[in]*atomAtom to delete
Returns
New start of PDB linked list

Deletes an atom from the PDB linked list. Should be called as pdb=blDeleteAtomPDB(pdb, atom); to allow for the first atom in the linked list being deleted.

Returns NULL of all atoms have been deleted. Returns the input pdb linked list unmodified if the atom isn't found.

  • 17.03.15 Original By: ACRM

Definition at line 173 of file KillPDB.c.

PDB* blDeleteAtomRangePDB ( PDB pdb,
PDB start,
PDB stop 
)
Parameters
[in]*pdbStart of PDB linked list
[in]*startFirst atom to delete
[in]*stopAtom after the one to be deleted
Returns
New start of linked list

Deletes a range of atoms from the linked list re-linking the list and returning the new start of the list (in case the first atom has been deleted)

  • 17.03.15 Original By: ACRM

Definition at line 122 of file KillPDB.c.

PDB* blDeleteResiduePDB ( PDB **  pPDB,
PDB res 
)
Parameters
[in,out]*pPDBPointer to pointer to start of PDB linked list
[in]*resPointer to residue to be removed
Returns
Next residue in PDB linked list

Remove a residue from the PDB linked list and re-link correctly. Returns the next item in the list, so will be NULL when the last residue has been deleted.

  • 30.09.17 Original

Definition at line 245 of file KillPDB.c.

PDB* blKillPDB ( PDB pdb,
PDB prev 
)
Parameters
[in]*pdbPointer to item in PDB linked list to be removed
[in]*prevPointer to previous item in linked list
Returns
Next item in PDB linked list

Kill an item in the PDB linked list and re-link correctly. Returns the next item in the list, so will be NULL when the last item in the list is killed.

  • 12.05.92 Original
  • 11.03.94 Now handles prev==NULL to delete first item in a list
  • 07.07.14 Use bl prefix for functions By: CTP
  • 16.03.15 Checks and removes any CONECT data By: ACRM

Definition at line 214 of file KillPDB.c.