RenumAtomsPDB.c File Reference

#include "macros.h"
#include "pdb.h"

Go to the source code of this file.

Functions
void	blRenumAtomsPDB (PDB *pdb, int offset)

Detailed Description

Version

V1.5

Date

29.04.15

Copyright

(c) UCL / Dr. Andrew C. R. Martin 1993-2015

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:

• V1.1 01.03.94 Original
• V1.2 27.02.98 Removed unreachable break from switch()
• V1.3 07.07.14 Use bl prefix for functions By: CTP
• V1.4 23.02.15 Properly handled TER card numbering and now takes an additional parameter - an offset for the start of numbering
• V1.5 29.04.15 Increment atom number at start of HETATM records. By: CTP

Definition in file RenumAtomsPDB.c.

Function Documentation

void blRenumAtomsPDB	(	PDB *	pdb,
		int	offset
	)

Parameters

[in,out]	*pdb	PDB linked list to renumber
[in]	offset	Number for the first atom

Renumber the atoms throughout a PDB linked list

• 01.08.93 Original
• 07.07.14 Use bl prefix for functions By: CTP
• 23.02.15 More intelligent version that allows for TER records which are also numbered. Added offset parameter.
• 29.04.15 Increment atom number at start of HETATM records. By: CTP

Definition at line 100 of file RenumAtomsPDB.c.