Read sequence from SEQRES records in a PDB file. More...

#include <stdlib.h>
#include "general.h"
#include "seq.h"
#include "macros.h"
#include "fsscanf.h"

Macros
#define	MAXBUFF 160

Functions
char **	blReadSeqresPDB (FILE fp, int nchains)

char **	blReadSeqresWholePDB (WHOLEPDB wpdb, int nchains)

Detailed Description

Read sequence from SEQRES records in a PDB file.

Version: V1.3

Date: 26.02.15

Copyright: (c) UCL / Dr. Andrew C. R. Martin 1996-2015

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:

V1.0 14.10.96 Original By: ACRM
V1.1 25.03.14 Added CHAINMATCH. By: CTP
V1.2 07.07.14 Use bl prefix for functions By: CTP
V1.3 26.02.15 Added blReadSeqresWholePDB() By: ACRM

Definition in file RdSeqPDB.c.

Macro Definition Documentation

#define MAXBUFF 160

Definition at line 78 of file RdSeqPDB.c.

Function Documentation

char** blReadSeqresPDB	(	FILE *	fp,
		int *	nchains
	)

Parameters

[in]	*fp	PDB file pointer
[out]	*nchains	Number of chains found

Returns: Array of sequence strings

Reads the sequence from the SEQRES records of a PDB file. Creates an array of malloc()'d character arrays in which the sequence is stored. Can therefore cope with any size of sequence information from the PDB file.

This is not normally recommended to get the sequence for a PDB file this way, but is useful to detect discrepancies compared with the sequence described by the ATOM records.

14.10.96 Original By: ACRM
25.03.14 Added CHAINMATCH. Chain IDs handled as strings. By: CTP
07.07.14 Use bl prefix for functions By: CTP

Definition at line 113 of file RdSeqPDB.c.

char** blReadSeqresWholePDB	(	WHOLEPDB *	wpdb,
		int *	nchains
	)

Parameters

[in]	wpdb	WHOLEPDB structure
[out]	*nchains	Number of chains found

Returns: Array of sequence strings

Reads the sequence from the SEQRES records from the PDB header stored in a WHOLEPDB structure. Creates an array of malloc()'d character arrays in which the sequence is stored. Can therefore cope with any size of sequence information from the PDB file.