WriteCrystPDB.c File Reference

#include <stdio.h>
#include <math.h>
#include "MathType.h"

Go to the source code of this file.

Functions
void	blWriteCrystPDB (FILE *fp, VEC3F UnitCell, VEC3F CellAngles, char *spacegroup, REAL OrigMatrix[3][4], REAL ScaleMatrix[3][4])

Detailed Description

Version

V1.1

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:

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

Definition in file WriteCrystPDB.c.

Function Documentation

void blWriteCrystPDB	(	FILE *	fp,
		VEC3F	UnitCell,
		VEC3F	CellAngles,
		char *	spacegroup,
		REAL	OrigMatrix[3][4],
		REAL	ScaleMatrix[3][4]
	)

Parameters

[in]	*fp	Output file pointet
[in]	UnitCell	The unit cell dimensions
[in]	CellAngles	The unit cell angles
[in]	*spacegroup	The crystal's space group
[in]	OrigMatrix	The origin matrix
[in]	ScaleMatrix	The scale matrix

Write crystal parameters (unit cell, space group, origin and scale matrices) to a PDB file.

• 12.10.95 Original By: ACRM
• 17.10.95 Corrected lf to f in fprintf()s
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 102 of file WriteCrystPDB.c.