FindResidueSpec.c File Reference

Parse a residue specification. More...

#include <ctype.h>
#include <stdio.h>
#include <string.h>
#include "macros.h"
#include "SysDefs.h"
#include "pdb.h"

Go to the source code of this file.

Functions
PDB *	blFindResidueSpec (PDB *pdb, char *resspec)

Detailed Description

Parse a residue specification.

Version

V1.10

Date

07.07.14

Copyright

(c) UCL / Dr. Andrew C. R. Martin 1993-2014

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 01.03.94 Original
• V1.1 07.07.95 Now non-destructive
• V1.2 17.07.95 Now checks that a number was specified as part of the spec. and returns a BOOL
• V1.3 23.10.95 Moved FindResidueSpec() from PDBList.c
• V1.4 08.02.96 Added FindResidue() and changed FindResidueSpec() to use it
• V1.5 23.07.96 Added AtomNameMatch() and LegalAtomSpec()
• V1.6 18.03.98 Added option to include a . to separate chain and residue number so numeric chain names can be used
• V1.7 11.10.99 Allow a . to be used to start a number (such that the default blank chain name is used). Allows negative residue numbers
• V1.8 15.08.13 FindResidueSpec() modified as chain and insert now need to be arrays
• V1.9 24.02.14 Now calls BiopFindResidue() By: CTP
• V1.10 07.07.14 Use bl prefix for functions By: CTP

Definition in file FindResidueSpec.c.

Function Documentation

PDB* blFindResidueSpec	(	PDB *	pdb,
		char *	resspec
	)

Parameters

[in]	*pdb	PDB linked list
[in]	*resspec	Residue specification

Returns

Pointer to first atom of specified residue (NULL if not found).

Search a PDB linked list for a specified residue (given as [chain][.]num[insert])

• 08.08.95 Original By: ACRM
• 08.02.96 Now calls FindResidue() to do the actual work
• 15.08.13 chain[] and insert[] are now arrays because of changes to ParseResSpec()
• 24.02.14 Now calls BiopFindResidue() By: CTP
• 07.07.14 Now calls blFindResidue() Use bl prefix for functions By: CTP

Definition at line 119 of file FindResidueSpec.c.