SelectCaPDB.c File Reference

#include <string.h>
#include <stdlib.h>
#include "SysDefs.h"
#include "pdb.h"
#include "macros.h"

Go to the source code of this file.

Functions
PDB *	blSelectCaPDB (PDB *pdb)

Detailed Description

Version

V1.8

Date

07.07.14

Copyright

(c) UCL / Dr. Andrew C. R. Martin 1990-2014

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 01.03.90 Original By: ACRM
• V1.1 28.03.90 Modified to match new version of pdb.h
• V1.2 24.05.90 Fixed so the variables passed in as sel[] don't have* to be 4 chars.
• V1.3 17.05.93 Modified for book. Returns BOOL.
• V1.4 09.07.93 Modified to return PDB pointer. Changed allocation scheme. Changed back to sel[] variables must be 4 chars.
• V1.5 01.11.94 Added HStripPDB()
• V1.6 26.07.95 Removed unused variables
• V1.7 16.10.96 Added SelectCaPDB()
• V1.8 07.07.14 Use bl prefix for functions By: CTP

Definition in file SelectCaPDB.c.

Function Documentation

PDB* blSelectCaPDB

(

PDB *

pdb

)

Parameters

[in]	*pdb	A PDB linked list
[out]	*	The linked list reduced to CA atoms only

Reduce a PDB linked list to CA atoms only. Returns the reduced PDB linked list. Note that the input linked list is modified (storage for non-CA atoms is freed) and that the pointer input to the routine is likely to become invalid since the first atom is generally no a CA and the first record will therefore be freed.

Normally you would call this routine with something like:

pdb = SelectCaPDB(pdb);

i.e. the same variable name is used for the input and the return.

This is used in place of the normal SelectAtomsPDB() since it is simpler and faster to call for this rather common requirement.

N.B. Unlike SelectAtomsPDB(), the routine is destructive; i.e. the original PDB linked list is NOT intact after the selection process.

• 15.10.96 Original By: ACRM
• 11.01.02 Added check on pdb!=NULL in case there are no CAs (DNA etc)
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 124 of file SelectCaPDB.c.