CalcCterCoords.c File Reference

Calculates C-terminal oxygen coordinates. More...

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "SysDefs.h"
#include "MathType.h"
#include "pdb.h"
#include "macros.h"

Go to the source code of this file.

Macros
#define	MAXBUFF   160

Functions
BOOL	blCalcCterCoords (PDB *p, PDB *ca_p, PDB *c_p, PDB *o_p)

Detailed Description

Calculates C-terminal oxygen coordinates.

Version

V1.4

Date

07.07.14

Copyright

(c) UCL / Dr. Andrew C. R. Martin 1994-6

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:

BOOL CalcCterCoords(PDB *p, PDB *ca_p, PDB *c_p, PDB *o_p)

Calculates the coordinates for a second oxygen (p) given the 3 antecedent atoms. Normally called from FixCterPDB()

Revision History:

• V1.0 24.08.94 Original By: ACRM
• V1.1 05.10.94 Removed unused variables
• V1.2 12.11.96 If any of the antecedant coordinates are undefined, set the terminal oxygen to NULL coordinates
• V1.3 13.11.96 Also checks for missing CA,C and O1 records
• V1.4 07.07.14 Use bl prefix for functions By: CTP

Definition in file CalcCterCoords.c.

Macro Definition Documentation

#define MAXBUFF   160

Definition at line 84 of file CalcCterCoords.c.

Function Documentation

BOOL blCalcCterCoords	(	PDB *	p,
		PDB *	ca_p,
		PDB *	c_p,
		PDB *	o_p
	)

Parameters

[in,out]	*p	OT2 PDB record whose coords are to be fixed
[in]	*ca_p	Antecedent CA PDB pointer
[in]	*c_p	Antecedent C PDB pointer
[in]	*o_p	Antecedent O PDB pointer

Returns

Success

Calculates the CTER OT2 coords

• 15.07.90 Original
• 07.07.14 Use bl prefix for functions By: CTP
• 26.08.14 Removed unused d23 By: ACRM

Definition at line 111 of file CalcCterCoords.c.