GetCofGPDBSCRange.c File Reference

Find CofG of a PDB linked list. More...

#include <math.h>
#include "pdb.h"
#include "macros.h"
#include "MathType.h"

Go to the source code of this file.

Functions
void	blGetCofGPDBSCRange (PDB *start, PDB *stop, VEC3F *cg)

Detailed Description

Find CofG of a PDB linked list.

Version

V1.2

Date

07.07.14

Copyright

(c) UCL / Dr. Andrew C. R. Martin 1992-4

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 01.10.92 Original
• V1.1 03.10.94 Added GetCofGPDBRange(), FindCofGPDBSCRange() and fixed NULL coord search in GetCofGPDB()
• V1.2 07.07.14 Use bl prefix for functions By: CTP

Definition in file GetCofGPDBSCRange.c.

Function Documentation

void blGetCofGPDBSCRange	(	PDB *	start,
		PDB *	stop,
		VEC3F *	cg
	)

Parameters

[in]	*start	Start of region of interest in PDB list
[in]	*stop	Beginning of next residue
[out]	*cg	Centre of geometry of specified region

Find CofG of a range in a PDB linked list, ignoring NULL coordinates Looks only at the sidechain atoms (specified as all coords==9999.000) and backbone (N,CA,C,O). For Glycine, returns the CA coordinates.

• 03.10.94 Original By: ACRM

Definition at line 101 of file GetCofGPDBSCRange.c.