CalcCellTrans.c File Reference

Calculate offsets for creating a crystal lattice. More...

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

Go to the source code of this file.

Functions
void	blCalcCellTrans (VEC3F UnitCell, VEC3F CellAngles, VEC3F *xtrans, VEC3F *ytrans, VEC3F *ztrans)

Detailed Description

Calculate offsets for creating a crystal lattice.

Version

V1.1

Date

07.07.14

Copyright

(c) UCL / Dr. Andrew C. R. Martin 1993-1995

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:

• V1.0R 12.10.05 Original
• V1.1 07.07.14 Use bl prefix for functions By: CTP

Definition in file CalcCellTrans.c.

Function Documentation

void blCalcCellTrans	(	VEC3F	UnitCell,
		VEC3F	CellAngles,
		VEC3F *	xtrans,
		VEC3F *	ytrans,
		VEC3F *	ztrans
	)

Parameters

[in]	UnitCell	The unit cell dimensions
[in]	CellAngles	The unit cell angles
[out]	*xtrans	Translation to apply along X axis
[out]	*ytrans	Translation to apply along Y axis
[out]	*ztrans	Translation to apply along Z axis

Calculates the offsets to apply in X, Y and Z directions for creating a crystal lattice from the unit cell parameters.

• 11.10.95 Original By: ACRM, Based losely on code from Rasmol
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 102 of file CalcCellTrans.c.